Brightway Flows 1.0
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9-methylanthracene

fo-3a5329aeeaad777f

Identity

Type
Neutral molecule
CAS
779-02-2
EC
212-299-7
Origin
EF 3.1 hybrid_name_cas_v1
Changes
55 across every transformer

Structure

Structure diagram for 9-methylanthracene

Alternative labels

1

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string CPGPAVAKSZHMBP-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C15H12/c1-11-14-8-4-2-6-12(14)10-13-7-3-5-9-15(11)13/h2-10H,1H3
IUPAC name chemrof:IUPAC_name 9-methylanthracene
Molecular formula chemrof:molecular_formula C15H12
Molecular mass chemrof:molecular_mass 192.261
Monoisotopic mass chemrof:monoisotopic_mass 192.0939
SMILES string chemrof:smiles_string Cc1c2ccccc2cc2ccccc12

Known URLs

9

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=779-02-2 enrich_references.consensus_cas_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.011.181 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID3061134 enrich_references.pubchem_identifier_url
dtp.cancer.gov https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=400540 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL1797294 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/65NK4CIN03 enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J3.327H enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/13068 enrich_references.pubchem_compound
Wikidata https://www.wikidata.org/wiki/Q18467085 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
55dd033e-ecb3-4f2e-aabd-15f3d5f23e3b Environmental → Air → Aircraft cruise height EF 3.1 kg 2
3e24a0b5-aa10-4450-8e13-4a5eb32e2bac Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
d1305dee-5493-44a5-a2a6-dbf3542795b9 Environmental → Air → Indoor EF 3.1 kg 2
02ae62c1-1da4-4c34-a877-d2a94c3e499e Environmental → Air → Long-term EF 3.1 kg 0
f0c0213d-28fb-4627-a16e-13f57672da47 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
14ad3e36-6228-44c8-8113-7f305d66c77f Environmental → Air → Unknown EF 3.1 kg 2
0bc994da-02e5-4aee-8c04-e1e752b1ef27 Environmental → Ground → Agricultural EF 3.1 kg 2
4ea60f78-c9f6-4d43-8742-cb33ee30b993 Environmental → Ground → Non-agricultural EF 3.1 kg 2
2b68ee91-6923-47bf-a98b-0c515af2934a Environmental → Ground → Unknown EF 3.1 kg 2
5f4dc7c6-7cc2-4df9-92de-83b43cf943fa Environmental → Water → Long-term EF 3.1 kg 0
70a237af-cf47-4221-bca5-17c9cfbc2198 Environmental → Water → Ocean EF 3.1 kg 2
16516911-7023-4ce1-bf72-a387e757664b Environmental → Water → Surface water EF 3.1 kg 2
6b0b9e85-77d1-4252-99c8-1e39c7dd7ad9 Environmental → Water → Unknown EF 3.1 kg 2

History

Everything that changed this substance (55 changes)

Open the changes page

Full record

Flow object JSON 
{
  "flow_object_id": "fo-3a5329aeeaad777f",
  "prefLabel": [
    {
      "@value": "9-methylanthracene",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        "prov:wasAttributedTo": "brightway-flows",
        "prov:hadPrimarySource": [
          "EF 3.1"
        ],
        "prov:wasDerivedFrom": "legacy name field"
      }
    }
  ],
  "altLabel": [
    {
      "@value": "Anthracene, 9-methyl-",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "brightway-flows",
        "prov:hadPrimarySource": [
          "CAS:779-02-2",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=779-02-2"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    }
  ],
  "properties": {
    "https://w3id.org/chemrof/molecular_formula": {
      "@id": "https://w3id.org/chemrof/molecular_formula",
      "@value": [
        "C15H12"
      ],
      "attested_by": {
        "C15H12": [
          "enrich_references.pubchem_semantic",
          "rdkit_post_consensus"
        ]
      },
      "rdfs:label": "Molecular formula",
      "provenance": [
        {
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          "prov:wasAttributedTo": "brightway-flows",
          "prov:hadPrimarySource": [
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          "prov:wasDerivedFrom": "pubchem.props.Molecular Formula"
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "brightway-flows",
          "prov:hadPrimarySource": [
            "Cc1c2ccccc2cc2ccccc12"
          ]
        }
      ]
    },
    "https://w3id.org/chemrof/inchi2d_key_string": {
      "@id": "https://w3id.org/chemrof/inchi2d_key_string",
      "@value": [
        "CPGPAVAKSZHMBP-UHFFFAOYSA-N"
      ],
      "attested_by": {
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      "rdfs:label": "InChIKey",
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    },
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          ]
        },
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        }
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    },
    "https://w3id.org/chemrof/inchi2d_string": {
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      "rdfs:label": "InChI",
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      ],
      "provenance": [
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        },
        {
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      "attested_by": {
        "InChI=1S/C15H12/c1-11-14-8-4-2-6-12(14)10-13-7-3-5-9-15(11)13/h2-10H,1H3": [
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      }
    },
    "https://w3id.org/chemrof/IUPAC_name": {
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      "@value": [
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      "provenance": {
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        ]
      },
      "attested_by": {
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        ]
      }
    },
    "https://w3id.org/chemrof/molecular_mass": {
      "@id": "https://w3id.org/chemrof/molecular_mass",
      "rdfs:label": "Molecular mass",
      "@value": [
        192.261
      ],
      "provenance": [
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          "prov:wasAttributedTo": "brightway-flows",
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          ]
        },
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        }
      ],
      "attested_by": {
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          "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": [
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      ],
      "provenance": [
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          "prov:wasAttributedTo": "brightway-flows",
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        },
        {
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          "prov:wasAttributedTo": "brightway-flows",
          "prov:hadPrimarySource": [
            "Cc1c2ccccc2cc2ccccc12"
          ]
        }
      ],
      "attested_by": {
        "192.0939": [
          "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=J3.327H",
      "provenance": {
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        "prov:wasAttributedTo": "brightway-flows",
        "prov:hadPrimarySource": [
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        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[779-02-2]"
      }
    },
    {
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      "provenance": {
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        "prov:wasDerivedFrom": "pubchem.identifiers[779-02-2]"
      }
    },
    {
      "@id": "https://commonchemistry.cas.org/detail?cas_rn=779-02-2",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.consensus_cas_link",
        "prov:wasAttributedTo": "brightway-flows",
        "prov:hadPrimarySource": [
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        ],
        "prov:wasDerivedFrom": "cas_numbers"
      }
    },
    {
      "@id": "https://comptox.epa.gov/dashboard/DTXSID3061134",
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        ],
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    {
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      }
    },
    {
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      "provenance": {
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        "prov:wasDerivedFrom": "pubchem.identifiers[779-02-2]"
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    }
  ],
  "created_from": {
    "resolver": "hybrid_name_cas_v1",
    "seed_uuid": "02ae62c1-1da4-4c34-a877-d2a94c3e499e",
    "seed_source": "EF 3.1",
    "semantic_typing": {
      "rule": "neutral_molecule",
      "reason": "",
      "types": [
        "https://w3id.org/chemrof/NeutralMolecule"
      ],
      "provenance": {
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        "prov:wasAttributedTo": "brightway-flows",
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      }
    }
  },
  "classifications": {
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      "@value": [
        "779-02-2"
      ],
      "rdfs:seeAlso": [
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      ],
      "http://www.w3.org/2004/02/skos/core#exactMatch": [
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        }
      ],
      "provenance": {
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        "prov:hadPrimarySource": [
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        ],
        "prov:wasDerivedFrom": "ec_numbers"
      }
    }
  },
  "origin_qualifier": null,
  "parent_flow_object_id": null,
  "parent_intervention_id": null,
  "@type": [
    "https://w3id.org/chemrof/NeutralMolecule"
  ]
}

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