Butanamide, N-(2-methylphenyl)-3-oxo-

2-(Acetoacetylamino)toluene
2-Methylacetoacetanilide
2′-Methylacetoacetanilide
3-Oxo-N-o-tolyl-butyramide
Acetoacetic acid 2-methylanilide
Acetoacetic acid o-toluidide
N-(2-Methylphenyl)-3-oxobutanamide
N-(2-Methylphenyl)acetoacetamide
N-Acetoacetyl-2-methylaniline
N-Acetoacetyl-o-toluidine
o-Acetoacetotoluidide
o-Methylacetoacetanilide

Property	Value
InChI2D key string chemrof:inchi2d_key_string	TVZIWRMELPWPPR-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string	InChI=1S/C11H13NO2/c1-8-5-3-4-6-10(8)12-11(14)7-9(2)13/h3-6H,7H2,1-2H3,(H,12,14)
IUPAC name chemrof:IUPAC_name	Butanamide, N-(2-methylphenyl)-3-oxo-
Molecular formula chemrof:molecular_formula	C11H13NO2
Molecular mass chemrof:molecular_mass	191.23
Monoisotopic mass chemrof:monoisotopic_mass	191.094629
SMILES string chemrof:smiles_string	CC(=O)CC(=O)Nc1ccccc1C

Where else this substance is described. Collected while the pipeline resolved it — from ChEBI's cross-references, from PubChem's identifier list, and from the CAS number — so a link here is a record the merge actually read, not a search it suggests.

Resource	URL	Recorded by
CAS Common Chemistry	https://commonchemistry.cas.org/detail?cas_rn=93-68-5	enrich_references.consensus_cas_link
chem.echa.europa.eu	https://chem.echa.europa.eu/100.002.062	enrich_references.pubchem_identifier_url
comptox.epa.gov	https://comptox.epa.gov/dashboard/DTXSID3026562	enrich_references.pubchem_identifier_url
dtp.cancer.gov	https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=7655	enrich_references.pubchem_identifier_url
ebi.ac.uk	https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL1893178	enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov	https://gsrs.ncats.nih.gov/ginas/app/beta/substances/MCN1GV8J3R	enrich_references.pubchem_identifier_url
hts.usitc.gov	https://hts.usitc.gov/search?query=2924.29.20.00	enrich_references.pubchem_identifier_url
jglobal.jst.go.jp	http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J4.680I	enrich_references.pubchem_identifier_url
PubChem	https://pubchem.ncbi.nlm.nih.gov/compound/7154	enrich_references.pubchem_compound
Wikidata	https://www.wikidata.org/wiki/Q27283887	enrich_references.pubchem_identifier_url

Flow	Context	Source	Unit	CFs
f5bb82fb-a090-400b-878a-1d88cbd7deea	Environmental → Air → Aircraft cruise height	EF 3.1	kg	4
361899cd-7fed-4266-8371-d91be05fa347	Environmental → Air → Ground level → Urban (>1000 people/square mile)	EF 3.1	kg	4
7152c4cd-400f-418e-a276-d2767b313a71	Environmental → Air → Indoor	EF 3.1	kg	4
1ebc446a-5f5c-452e-85ba-bf6972473e8e	Environmental → Air → Long-term	EF 3.1	kg	0
f35289f9-7c72-4d13-8b77-c31ac350485a	Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile)	EF 3.1	kg	4
616284af-56d5-4393-9a7c-34a6440353c5	Environmental → Air → Unknown	EF 3.1	kg	4
8f28bea2-f424-409e-ae44-dfdc3b5ccd02	Environmental → Ground → Agricultural	EF 3.1	kg	4
629a8cac-2342-49fa-a6a1-dac7161235ff	Environmental → Ground → Non-agricultural	EF 3.1	kg	4
deb63f3a-9006-450e-9910-5b630a75e43d	Environmental → Ground → Unknown	EF 3.1	kg	4
7fa2245f-ea4e-4ae3-9fd2-78a3af278b5a	Environmental → Water → Long-term	EF 3.1	kg	0
0af03933-a380-4a44-bd54-c4f3ff4b2d9f	Environmental → Water → Ocean	EF 3.1	kg	4
d0bac989-a6dd-4358-b99f-f6611c6477b9	Environmental → Water → Surface water	EF 3.1	kg	4
73a49be0-98b0-484c-b7f4-2869a37acc68	Environmental → Water → Unknown	EF 3.1	kg	4

Everything that changed this substance (55 changes)

Open the changes page

Flow object JSON

{
  "flow_object_id": "fo-9d1725118c856ddd",
  "prefLabel": [
    {
      "@value": "Butanamide, N-(2-methylphenyl)-3-oxo-",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "bootstrap_labels",
        "prov:wasAttributedTo": "brightway-flows",
        "prov:hadPrimarySource": [
          "EF 3.1"
        ],
        "prov:wasDerivedFrom": "legacy name field"
      }
    }
  ],
  "altLabel": [
    {
      "@value": "2-(Acetoacetylamino)toluene",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "brightway-flows",
        "prov:hadPrimarySource": [
          "CAS:93-68-5",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=93-68-5"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "2-Methylacetoacetanilide",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "brightway-flows",
        "prov:hadPrimarySource": [
          "CAS:93-68-5",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=93-68-5"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "2′-Methylacetoacetanilide",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "brightway-flows",
        "prov:hadPrimarySource": [
          "CAS:93-68-5",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=93-68-5"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "3-Oxo-N-o-tolyl-butyramide",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "brightway-flows",
        "prov:hadPrimarySource": [
          "CAS:93-68-5",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=93-68-5"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Acetoacetic acid 2-methylanilide",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "brightway-flows",
        "prov:hadPrimarySource": [
          "CAS:93-68-5",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=93-68-5"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Acetoacetic acid o-toluidide",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "brightway-flows",
        "prov:hadPrimarySource": [
          "CAS:93-68-5",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=93-68-5"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "N-(2-Methylphenyl)-3-oxobutanamide",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "brightway-flows",
        "prov:hadPrimarySource": [
          "CAS:93-68-5",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=93-68-5"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "N-(2-Methylphenyl)acetoacetamide",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "brightway-flows",
        "prov:hadPrimarySource": [
          "CAS:93-68-5",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=93-68-5"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "N-Acetoacetyl-2-methylaniline",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "brightway-flows",
        "prov:hadPrimarySource": [
          "CAS:93-68-5",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=93-68-5"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "N-Acetoacetyl-o-toluidine",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "brightway-flows",
        "prov:hadPrimarySource": [
          "CAS:93-68-5",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=93-68-5"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "o-Acetoacetotoluidide",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "brightway-flows",
        "prov:hadPrimarySource": [
          "CAS:93-68-5",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=93-68-5"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "o-Methylacetoacetanilide",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "brightway-flows",
        "prov:hadPrimarySource": [
          "CAS:93-68-5",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=93-68-5"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    }
  ],
  "properties": {
    "https://w3id.org/chemrof/molecular_formula": {
      "@id": "https://w3id.org/chemrof/molecular_formula",
      "@value": [
        "C11H13NO2"
      ],
      "attested_by": {
        "C11H13NO2": [
          "enrich_references.pubchem_semantic",
          "rdkit_post_consensus"
        ]
      },
      "rdfs:label": "Molecular formula",
      "provenance": [
        {
          "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
          "prov:wasAttributedTo": "brightway-flows",
          "prov:hadPrimarySource": [
            "CID:7154"
          ],
          "prov:wasDerivedFrom": "pubchem.props.Molecular Formula"
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "brightway-flows",
          "prov:hadPrimarySource": [
            "CC(=O)CC(=O)Nc1ccccc1C"
          ]
        }
      ]
    },
    "https://w3id.org/chemrof/inchi2d_key_string": {
      "@id": "https://w3id.org/chemrof/inchi2d_key_string",
      "@value": [
        "TVZIWRMELPWPPR-UHFFFAOYSA-N"
      ],
      "attested_by": {
        "TVZIWRMELPWPPR-UHFFFAOYSA-N": [
          "enrich_references.pubchem_semantic",
          "rdkit_post_consensus"
        ]
      },
      "rdfs:label": "InChIKey",
      "provenance": [
        {
          "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
          "prov:wasAttributedTo": "brightway-flows",
          "prov:hadPrimarySource": [
            "CID:7154"
          ],
          "prov:wasDerivedFrom": "pubchem.props.InChIKey"
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "brightway-flows",
          "prov:hadPrimarySource": [
            "CC(=O)CC(=O)Nc1ccccc1C"
          ]
        }
      ]
    },
    "https://w3id.org/chemrof/smiles_string": {
      "@id": "https://w3id.org/chemrof/smiles_string",
      "rdfs:label": "SMILES",
      "@value": [
        "CC(=O)CC(=O)Nc1ccccc1C"
      ],
      "provenance": [
        {
          "prov:wasGeneratedBy": "opsin_iupac",
          "prov:wasAttributedTo": "brightway-flows",
          "prov:hadPrimarySource": [
            "Butanamide, N-(2-methylphenyl)-3-oxo-"
          ]
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "brightway-flows",
          "prov:hadPrimarySource": [
            "CC(=O)CC(=O)Nc1ccccc1C"
          ]
        }
      ],
      "attested_by": {
        "CC(=O)CC(=O)Nc1ccccc1C": [
          "opsin_iupac",
          "rdkit_post_consensus"
        ]
      }
    },
    "https://w3id.org/chemrof/inchi2d_string": {
      "@id": "https://w3id.org/chemrof/inchi2d_string",
      "rdfs:label": "InChI",
      "@value": [
        "InChI=1S/C11H13NO2/c1-8-5-3-4-6-10(8)12-11(14)7-9(2)13/h3-6H,7H2,1-2H3,(H,12,14)"
      ],
      "provenance": [
        {
          "prov:wasGeneratedBy": "opsin_iupac",
          "prov:wasAttributedTo": "brightway-flows",
          "prov:hadPrimarySource": [
            "Butanamide, N-(2-methylphenyl)-3-oxo-"
          ]
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "brightway-flows",
          "prov:hadPrimarySource": [
            "CC(=O)CC(=O)Nc1ccccc1C"
          ]
        }
      ],
      "attested_by": {
        "InChI=1S/C11H13NO2/c1-8-5-3-4-6-10(8)12-11(14)7-9(2)13/h3-6H,7H2,1-2H3,(H,12,14)": [
          "opsin_iupac",
          "rdkit_post_consensus"
        ]
      }
    },
    "https://w3id.org/chemrof/IUPAC_name": {
      "@id": "https://w3id.org/chemrof/IUPAC_name",
      "rdfs:label": "IUPAC name",
      "@value": [
        "Butanamide, N-(2-methylphenyl)-3-oxo-"
      ],
      "provenance": {
        "prov:wasGeneratedBy": "opsin_iupac",
        "prov:wasAttributedTo": "brightway-flows",
        "prov:hadPrimarySource": [
          "Butanamide, N-(2-methylphenyl)-3-oxo-"
        ]
      },
      "attested_by": {
        "Butanamide, N-(2-methylphenyl)-3-oxo-": [
          "opsin_iupac"
        ]
      }
    },
    "https://w3id.org/chemrof/molecular_mass": {
      "@id": "https://w3id.org/chemrof/molecular_mass",
      "rdfs:label": "Molecular mass",
      "@value": [
        191.23
      ],
      "provenance": [
        {
          "prov:wasGeneratedBy": "rdkit_pre_consensus",
          "prov:wasAttributedTo": "brightway-flows",
          "prov:hadPrimarySource": [
            "CC1=CC=CC=C1NC(=O)CC(=O)C"
          ]
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "brightway-flows",
          "prov:hadPrimarySource": [
            "CC(=O)CC(=O)Nc1ccccc1C"
          ]
        }
      ],
      "attested_by": {
        "191.23": [
          "rdkit_post_consensus",
          "rdkit_pre_consensus"
        ]
      },
      "http://qudt.org/schema/qudt/hasUnit": "https://vocab.brightway.one/units/unit/GM-PER-MOL"
    },
    "https://w3id.org/chemrof/monoisotopic_mass": {
      "@id": "https://w3id.org/chemrof/monoisotopic_mass",
      "rdfs:label": "Monoisotopic mass",
      "@value": [
        191.094629
      ],
      "provenance": [
        {
          "prov:wasGeneratedBy": "rdkit_pre_consensus",
          "prov:wasAttributedTo": "brightway-flows",
          "prov:hadPrimarySource": [
            "CC1=CC=CC=C1NC(=O)CC(=O)C"
          ]
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "brightway-flows",
          "prov:hadPrimarySource": [
            "CC(=O)CC(=O)Nc1ccccc1C"
          ]
        }
      ],
      "attested_by": {
        "191.094629": [
          "rdkit_post_consensus",
          "rdkit_pre_consensus"
        ]
      },
      "http://qudt.org/schema/qudt/hasUnit": "https://vocab.brightway.one/units/unit/GM-PER-MOL"
    }
  },
  "references": [
    {
      "@id": "http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J4.680I",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "brightway-flows",
        "prov:hadPrimarySource": [
          "CID:7154;CAS:93-68-5"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[93-68-5]"
      }
    },
    {
      "@id": "https://chem.echa.europa.eu/100.002.062",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "brightway-flows",
        "prov:hadPrimarySource": [
          "CID:7154;CAS:93-68-5"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[93-68-5]"
      }
    },
    {
      "@id": "https://commonchemistry.cas.org/detail?cas_rn=93-68-5",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.consensus_cas_link",
        "prov:wasAttributedTo": "brightway-flows",
        "prov:hadPrimarySource": [
          "93-68-5"
        ],
        "prov:wasDerivedFrom": "cas_numbers"
      }
    },
    {
      "@id": "https://comptox.epa.gov/dashboard/DTXSID3026562",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "brightway-flows",
        "prov:hadPrimarySource": [
          "CID:7154;CAS:93-68-5"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[93-68-5]"
      }
    },
    {
      "@id": "https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=7655",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "brightway-flows",
        "prov:hadPrimarySource": [
          "CID:7154;CAS:93-68-5"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[93-68-5]"
      }
    },
    {
      "@id": "https://gsrs.ncats.nih.gov/ginas/app/beta/substances/MCN1GV8J3R",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "brightway-flows",
        "prov:hadPrimarySource": [
          "CID:7154;CAS:93-68-5"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[93-68-5]"
      }
    },
    {
      "@id": "https://hts.usitc.gov/search?query=2924.29.20.00",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "brightway-flows",
        "prov:hadPrimarySource": [
          "CID:7154;CAS:93-68-5"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[93-68-5]"
      }
    },
    {
      "@id": "https://pubchem.ncbi.nlm.nih.gov/compound/7154",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_compound",
        "prov:wasAttributedTo": "brightway-flows",
        "prov:hadPrimarySource": [
          "CID:7154;CAS:93-68-5"
        ],
        "prov:wasDerivedFrom": "pubchem.by_cas[93-68-5]"
      }
    },
    {
      "@id": "https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL1893178",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "brightway-flows",
        "prov:hadPrimarySource": [
          "CID:7154;CAS:93-68-5"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[93-68-5]"
      }
    },
    {
      "@id": "https://www.wikidata.org/wiki/Q27283887",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "brightway-flows",
        "prov:hadPrimarySource": [
          "CID:7154;CAS:93-68-5"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[93-68-5]"
      }
    }
  ],
  "created_from": {
    "resolver": "hybrid_name_cas_v1",
    "seed_uuid": "0af03933-a380-4a44-bd54-c4f3ff4b2d9f",
    "seed_source": "EF 3.1",
    "semantic_typing": {
      "rule": "neutral_molecule",
      "reason": "",
      "types": [
        "https://w3id.org/chemrof/NeutralMolecule"
      ],
      "provenance": {
        "prov:wasGeneratedBy": "semantic_typing.classify",
        "prov:wasAttributedTo": "brightway-flows",
        "prov:wasDerivedFrom": "semantic_typing.rule.neutral_molecule"
      }
    }
  },
  "classifications": {
    "http://semanticscience.org/resource/CHEMINF_000446": {
      "@value": [
        "93-68-5"
      ],
      "rdfs:seeAlso": [
        "https://commonchemistry.cas.org/detail?cas_rn=93-68-5"
      ],
      "http://www.w3.org/2004/02/skos/core#exactMatch": [
        {
          "@id": "https://commonchemistry.cas.org/detail?cas_rn=93-68-5"
        }
      ],
      "provenance": {
        "prov:wasGeneratedBy": "hybrid_name_cas_v1",
        "prov:wasAttributedTo": "brightway-flows",
        "prov:hadPrimarySource": [
          "EF 3.1"
        ],
        "prov:wasDerivedFrom": "cas_numbers"
      }
    },
    "http://semanticscience.org/resource/CHEMINF_000447": {
      "@value": [
        "202-267-0"
      ],
      "rdfs:seeAlso": [
        "https://echa.europa.eu/search-for-chemicals?query=202-267-0"
      ],
      "provenance": {
        "prov:wasGeneratedBy": "hybrid_name_cas_v1",
        "prov:wasAttributedTo": "brightway-flows",
        "prov:hadPrimarySource": [
          "EF 3.1"
        ],
        "prov:wasDerivedFrom": "ec_numbers"
      }
    }
  },
  "origin_qualifier": null,
  "parent_flow_object_id": null,
  "parent_intervention_id": null,
  "@type": [
    "https://w3id.org/chemrof/NeutralMolecule"
  ]
}

You do not need to run a build or clone anything. Name the record and say what your evidence is; the measurement is done for you. How contributing works

Butanamide, N-(2-methylphenyl)-3-oxo-

Identity

Structure

Alternative labels

Properties

Known URLs

Elementary flows

History

Full record

Something wrong here?

Keyboard