Acetoacetanilide
fo-91a6d423a24fd353
Identity
- Type
- Neutral molecule
- CAS
- 102-01-2
- EC
- 202-996-4
- Origin
- EF 3.1 hybrid_name_cas_v1
- Changes
- 56 across every transformer
Structure
Alternative labels
17- 1-(Phenylamino)-1,3-butanedione
- 1-(Phenylcarbamoyl)-2-propanone
- 3-Oxo-N-phenylbutanamide
- 3-Oxo-N-phenylbutyramide
- 4-(Phenylamino)-2,4-butanedione
- Acetoacetamidobenzene
- Acetoacetic acid anilide
- Acetoacetic anilide
- Acetoacetylanilide
- Butanamide, 3-oxo-N-phenyl-
- N-(Acetoacetyl)aniline
- N-Phenyl-3-oxobutanamide
- N-Phenylacetoacetamide
- N-Phenylacetylacetamide
- α-Acetyl-N-phenylacetamide
- α-Acetylacetanilide
- β-Ketobutyranilide
Properties
| Property | Value |
|---|---|
| InChI2D key string chemrof:inchi2d_key_string | DYRDKSSFIWVSNM-UHFFFAOYSA-N |
| InChI2D string chemrof:inchi2d_string | InChI=1S/C10H11NO2/c1-8(12)7-10(13)11-9-5-3-2-4-6-9/h2-6H,7H2,1H3,(H,11,13) |
| IUPAC name chemrof:IUPAC_name | Acetoacetanilide |
| Molecular formula chemrof:molecular_formula | C10H11NO2 |
| Molecular mass chemrof:molecular_mass | 177.203 |
| Monoisotopic mass chemrof:monoisotopic_mass | 177.078979 |
| SMILES string chemrof:smiles_string | CC(=O)CC(=O)Nc1ccccc1 |
Known URLs
12Where 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=102-01-2 | enrich_references.consensus_cas_link |
| chem.echa.europa.eu | https://chem.echa.europa.eu/100.002.725 | enrich_references.pubchem_identifier_url |
| comptox.epa.gov | https://comptox.epa.gov/dashboard/DTXSID0024397 | enrich_references.pubchem_identifier_url |
| dtp.cancer.gov | https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=2656 | enrich_references.pubchem_identifier_url |
| ebi.ac.uk | https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL1604429 | enrich_references.pubchem_identifier_url |
| gsrs.ncats.nih.gov | https://gsrs.ncats.nih.gov/ginas/app/beta/substances/W35JB9PY3X | enrich_references.pubchem_identifier_url |
| hts.usitc.gov | https://hts.usitc.gov/search?query=2924.29.77.10 | enrich_references.pubchem_identifier_url |
| jglobal.jst.go.jp | http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J4.999I | enrich_references.pubchem_identifier_url |
| PubChem | https://pubchem.ncbi.nlm.nih.gov/compound/7592 | enrich_references.pubchem_compound |
| PubChem | https://pubchem.ncbi.nlm.nih.gov/substance/?source=niaid&sourceid=019060 | enrich_references.pubchem_identifier_url |
| Wikidata | https://www.wikidata.org/wiki/Q15720542 | enrich_references.pubchem_identifier_url |
| Wikipedia | https://en.wikipedia.org/wiki/Acetoacetanilide | enrich_references.pubchem_identifier_url |
Elementary flows
13| Flow | Context | Source | Unit | CFs |
|---|---|---|---|---|
| 2bec5534-4176-4558-86b0-e7bff19c6163 | Environmental → Air → Aircraft cruise height | EF 3.1 | kg | 4 |
| dbbd6667-a023-4c26-bfc8-7971559baea6 | Environmental → Air → Ground level → Urban (>1000 people/square mile) | EF 3.1 | kg | 4 |
| 34221ac1-32f1-4a8a-8e89-bfd3cbc0ea73 | Environmental → Air → Indoor | EF 3.1 | kg | 4 |
| 8349622c-c45b-4e78-ae22-c879cd392b38 | Environmental → Air → Long-term | EF 3.1 | kg | 0 |
| a3ecd365-f237-49af-a2e8-d0a7904b31e8 | Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) | EF 3.1 | kg | 4 |
| 1adb3161-3b91-4dfd-ad0b-1ca3fd9fdcd3 | Environmental → Air → Unknown | EF 3.1 | kg | 4 |
| 545b5c7c-8e06-4bce-9cc4-d5d1808c7baa | Environmental → Ground → Agricultural | EF 3.1 | kg | 4 |
| 79c3f7f2-5bd8-4edd-a2ec-2a50ba88a35a | Environmental → Ground → Non-agricultural | EF 3.1 | kg | 4 |
| 9b918eb1-967b-4fb1-9e58-2ec4e5fd6f37 | Environmental → Ground → Unknown | EF 3.1 | kg | 4 |
| a9432302-a8db-4541-93ba-2cb65b69505a | Environmental → Water → Long-term | EF 3.1 | kg | 0 |
| 9fbdfc0e-06df-4091-958c-5ad4a3bf0f2c | Environmental → Water → Ocean | EF 3.1 | kg | 4 |
| 8c76357f-f66f-49e9-b1b3-ea649df33bf8 | Environmental → Water → Surface water | EF 3.1 | kg | 4 |
| cfab45d6-32ff-4f90-aa13-c69486b9932e | Environmental → Water → Unknown | EF 3.1 | kg | 4 |
History
Everything that changed this substance (56 changes)
Full record
Flow object JSON
{
"flow_object_id": "fo-91a6d423a24fd353",
"prefLabel": [
{
"@value": "Acetoacetanilide",
"@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": "1-(Phenylamino)-1,3-butanedione",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "brightway-flows",
"prov:hadPrimarySource": [
"CAS:102-01-2",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=102-01-2"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "1-(Phenylcarbamoyl)-2-propanone",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "brightway-flows",
"prov:hadPrimarySource": [
"CAS:102-01-2",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=102-01-2"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "3-Oxo-N-phenylbutanamide",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "brightway-flows",
"prov:hadPrimarySource": [
"CAS:102-01-2",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=102-01-2"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "3-Oxo-N-phenylbutyramide",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "brightway-flows",
"prov:hadPrimarySource": [
"CAS:102-01-2",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=102-01-2"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "4-(Phenylamino)-2,4-butanedione",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "brightway-flows",
"prov:hadPrimarySource": [
"CAS:102-01-2",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=102-01-2"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Acetoacetamidobenzene",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "brightway-flows",
"prov:hadPrimarySource": [
"CAS:102-01-2",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=102-01-2"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Acetoacetic acid anilide",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "brightway-flows",
"prov:hadPrimarySource": [
"CAS:102-01-2",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=102-01-2"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Acetoacetic anilide",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "brightway-flows",
"prov:hadPrimarySource": [
"CAS:102-01-2",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=102-01-2"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Acetoacetylanilide",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "brightway-flows",
"prov:hadPrimarySource": [
"CAS:102-01-2",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=102-01-2"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Butanamide, 3-oxo-N-phenyl-",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "brightway-flows",
"prov:hadPrimarySource": [
"CAS:102-01-2",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=102-01-2"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "N-(Acetoacetyl)aniline",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "brightway-flows",
"prov:hadPrimarySource": [
"CAS:102-01-2",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=102-01-2"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "N-Phenyl-3-oxobutanamide",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "brightway-flows",
"prov:hadPrimarySource": [
"CAS:102-01-2",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=102-01-2"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "N-Phenylacetoacetamide",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "brightway-flows",
"prov:hadPrimarySource": [
"CAS:102-01-2",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=102-01-2"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "N-Phenylacetylacetamide",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "brightway-flows",
"prov:hadPrimarySource": [
"CAS:102-01-2",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=102-01-2"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "α-Acetyl-N-phenylacetamide",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "brightway-flows",
"prov:hadPrimarySource": [
"CAS:102-01-2",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=102-01-2"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "α-Acetylacetanilide",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "brightway-flows",
"prov:hadPrimarySource": [
"CAS:102-01-2",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=102-01-2"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "β-Ketobutyranilide",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "brightway-flows",
"prov:hadPrimarySource": [
"CAS:102-01-2",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=102-01-2"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
}
],
"properties": {
"https://w3id.org/chemrof/molecular_formula": {
"@id": "https://w3id.org/chemrof/molecular_formula",
"@value": [
"C10H11NO2"
],
"attested_by": {
"C10H11NO2": [
"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:7592"
],
"prov:wasDerivedFrom": "pubchem.props.Molecular Formula"
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "brightway-flows",
"prov:hadPrimarySource": [
"CC(=O)CC(=O)Nc1ccccc1"
]
}
]
},
"https://w3id.org/chemrof/inchi2d_key_string": {
"@id": "https://w3id.org/chemrof/inchi2d_key_string",
"@value": [
"DYRDKSSFIWVSNM-UHFFFAOYSA-N"
],
"attested_by": {
"DYRDKSSFIWVSNM-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:7592"
],
"prov:wasDerivedFrom": "pubchem.props.InChIKey"
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "brightway-flows",
"prov:hadPrimarySource": [
"CC(=O)CC(=O)Nc1ccccc1"
]
}
]
},
"https://w3id.org/chemrof/smiles_string": {
"@id": "https://w3id.org/chemrof/smiles_string",
"rdfs:label": "SMILES",
"@value": [
"CC(=O)CC(=O)Nc1ccccc1"
],
"provenance": [
{
"prov:wasGeneratedBy": "opsin_iupac",
"prov:wasAttributedTo": "brightway-flows",
"prov:hadPrimarySource": [
"Acetoacetanilide"
]
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "brightway-flows",
"prov:hadPrimarySource": [
"CC(=O)CC(=O)Nc1ccccc1"
]
}
],
"attested_by": {
"CC(=O)CC(=O)Nc1ccccc1": [
"opsin_iupac",
"rdkit_post_consensus"
]
}
},
"https://w3id.org/chemrof/inchi2d_string": {
"@id": "https://w3id.org/chemrof/inchi2d_string",
"rdfs:label": "InChI",
"@value": [
"InChI=1S/C10H11NO2/c1-8(12)7-10(13)11-9-5-3-2-4-6-9/h2-6H,7H2,1H3,(H,11,13)"
],
"provenance": [
{
"prov:wasGeneratedBy": "opsin_iupac",
"prov:wasAttributedTo": "brightway-flows",
"prov:hadPrimarySource": [
"Acetoacetanilide"
]
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "brightway-flows",
"prov:hadPrimarySource": [
"CC(=O)CC(=O)Nc1ccccc1"
]
}
],
"attested_by": {
"InChI=1S/C10H11NO2/c1-8(12)7-10(13)11-9-5-3-2-4-6-9/h2-6H,7H2,1H3,(H,11,13)": [
"opsin_iupac",
"rdkit_post_consensus"
]
}
},
"https://w3id.org/chemrof/IUPAC_name": {
"@id": "https://w3id.org/chemrof/IUPAC_name",
"rdfs:label": "IUPAC name",
"@value": [
"Acetoacetanilide"
],
"provenance": {
"prov:wasGeneratedBy": "opsin_iupac",
"prov:wasAttributedTo": "brightway-flows",
"prov:hadPrimarySource": [
"Acetoacetanilide"
]
},
"attested_by": {
"Acetoacetanilide": [
"opsin_iupac"
]
}
},
"https://w3id.org/chemrof/molecular_mass": {
"@id": "https://w3id.org/chemrof/molecular_mass",
"rdfs:label": "Molecular mass",
"@value": [
177.203
],
"provenance": [
{
"prov:wasGeneratedBy": "rdkit_pre_consensus",
"prov:wasAttributedTo": "brightway-flows",
"prov:hadPrimarySource": [
"CC(=O)CC(=O)NC1=CC=CC=C1"
]
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "brightway-flows",
"prov:hadPrimarySource": [
"CC(=O)CC(=O)Nc1ccccc1"
]
}
],
"attested_by": {
"177.203": [
"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": [
177.078979
],
"provenance": [
{
"prov:wasGeneratedBy": "rdkit_pre_consensus",
"prov:wasAttributedTo": "brightway-flows",
"prov:hadPrimarySource": [
"CC(=O)CC(=O)NC1=CC=CC=C1"
]
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "brightway-flows",
"prov:hadPrimarySource": [
"CC(=O)CC(=O)Nc1ccccc1"
]
}
],
"attested_by": {
"177.078979": [
"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=J4.999I",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "brightway-flows",
"prov:hadPrimarySource": [
"CID:7592;CAS:102-01-2"
],
"prov:wasDerivedFrom": "pubchem.identifiers[102-01-2]"
}
},
{
"@id": "https://chem.echa.europa.eu/100.002.725",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "brightway-flows",
"prov:hadPrimarySource": [
"CID:7592;CAS:102-01-2"
],
"prov:wasDerivedFrom": "pubchem.identifiers[102-01-2]"
}
},
{
"@id": "https://commonchemistry.cas.org/detail?cas_rn=102-01-2",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.consensus_cas_link",
"prov:wasAttributedTo": "brightway-flows",
"prov:hadPrimarySource": [
"102-01-2"
],
"prov:wasDerivedFrom": "cas_numbers"
}
},
{
"@id": "https://comptox.epa.gov/dashboard/DTXSID0024397",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "brightway-flows",
"prov:hadPrimarySource": [
"CID:7592;CAS:102-01-2"
],
"prov:wasDerivedFrom": "pubchem.identifiers[102-01-2]"
}
},
{
"@id": "https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=2656",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "brightway-flows",
"prov:hadPrimarySource": [
"CID:7592;CAS:102-01-2"
],
"prov:wasDerivedFrom": "pubchem.identifiers[102-01-2]"
}
},
{
"@id": "https://en.wikipedia.org/wiki/Acetoacetanilide",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "brightway-flows",
"prov:hadPrimarySource": [
"CID:7592;CAS:102-01-2"
],
"prov:wasDerivedFrom": "pubchem.identifiers[102-01-2]"
}
},
{
"@id": "https://gsrs.ncats.nih.gov/ginas/app/beta/substances/W35JB9PY3X",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "brightway-flows",
"prov:hadPrimarySource": [
"CID:7592;CAS:102-01-2"
],
"prov:wasDerivedFrom": "pubchem.identifiers[102-01-2]"
}
},
{
"@id": "https://hts.usitc.gov/search?query=2924.29.77.10",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "brightway-flows",
"prov:hadPrimarySource": [
"CID:7592;CAS:102-01-2"
],
"prov:wasDerivedFrom": "pubchem.identifiers[102-01-2]"
}
},
{
"@id": "https://pubchem.ncbi.nlm.nih.gov/compound/7592",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_compound",
"prov:wasAttributedTo": "brightway-flows",
"prov:hadPrimarySource": [
"CID:7592;CAS:102-01-2"
],
"prov:wasDerivedFrom": "pubchem.by_cas[102-01-2]"
}
},
{
"@id": "https://pubchem.ncbi.nlm.nih.gov/substance/?source=niaid&sourceid=019060",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "brightway-flows",
"prov:hadPrimarySource": [
"CID:7592;CAS:102-01-2"
],
"prov:wasDerivedFrom": "pubchem.identifiers[102-01-2]"
}
},
{
"@id": "https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL1604429",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "brightway-flows",
"prov:hadPrimarySource": [
"CID:7592;CAS:102-01-2"
],
"prov:wasDerivedFrom": "pubchem.identifiers[102-01-2]"
}
},
{
"@id": "https://www.wikidata.org/wiki/Q15720542",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "brightway-flows",
"prov:hadPrimarySource": [
"CID:7592;CAS:102-01-2"
],
"prov:wasDerivedFrom": "pubchem.identifiers[102-01-2]"
}
}
],
"created_from": {
"resolver": "hybrid_name_cas_v1",
"seed_uuid": "1adb3161-3b91-4dfd-ad0b-1ca3fd9fdcd3",
"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": [
"102-01-2"
],
"rdfs:seeAlso": [
"https://commonchemistry.cas.org/detail?cas_rn=102-01-2"
],
"http://www.w3.org/2004/02/skos/core#exactMatch": [
{
"@id": "https://commonchemistry.cas.org/detail?cas_rn=102-01-2"
}
],
"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": [
"202-996-4"
],
"rdfs:seeAlso": [
"https://echa.europa.eu/search-for-chemicals?query=202-996-4"
],
"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"
]
}
Something wrong here?
- This substance is published under the wrong name
- This is not that chemical
- This record is two substances, or it is a second copy of one
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