Consensus flow list

Identity

Type
Neutral molecule
CAS
5333-84-6
EC
226-247-6
Origin
EF 3.1 hybrid_name_cas_v1
Changes
54 across every transformer

Structure

Structure diagram for 4-methyl-3a,4,7,7a-tetrahydro-2-benzofuran-1,3-dione

Alternative labels

11

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string XPEKVUUBSDFMDR-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C9H10O3/c1-5-3-2-4-6-7(5)9(11)12-8(6)10/h2-3,5-7H,4H2,1H3
IUPAC name chemrof:IUPAC_name 4-methyl-3a,4,7,7a-tetrahydro-2-benzofuran-1,3-dione
Molecular formula chemrof:molecular_formula C9H10O3
Molecular mass chemrof:molecular_mass 166.176
Monoisotopic mass chemrof:monoisotopic_mass 166.062994
SMILES string chemrof:smiles_string CC1C=CCC2C(=O)OC(=O)C12

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=5333-84-6 enrich_references.consensus_cas_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.023.861 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID6058710 enrich_references.pubchem_identifier_url
dtp.cancer.gov https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=154772 enrich_references.pubchem_identifier_url
dtp.cancer.gov https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=2352 enrich_references.pubchem_identifier_url
dtp.cancer.gov https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=87811 enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J169.053A enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/95332 enrich_references.pubchem_compound
wikidata.org https://www.wikidata.org/wiki/Q72491039 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
548126e5-db59-4ce5-8d38-6a12ed8f923a Environmental → Air → Aircraft cruise height EF 3.1 kg 2
f768d836-e660-4a3a-a3de-9e4acc05b2d4 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
2c9a15dc-f577-4cb3-a131-e28caf0fe69b Environmental → Air → Indoor EF 3.1 kg 2
c84f9f1e-513b-43dd-bc0f-467b2875b1cf Environmental → Air → Long-term EF 3.1 kg 0
ae69cceb-f140-41c9-a07f-9b61da4a07e7 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
5a83c731-79a9-4f38-947b-b271d3133096 Environmental → Air → Unknown EF 3.1 kg 2
09e171e3-c559-4a7a-a159-0bf7d4c13d15 Environmental → Ground → Agricultural EF 3.1 kg 2
b651bc2c-ac68-4d61-ab67-b79cccb3b76b Environmental → Ground → Non-agricultural EF 3.1 kg 2
f39e8449-4c34-4f55-92ff-1c7cff20f02d Environmental → Ground → Unknown EF 3.1 kg 2
974274a9-3758-4e01-a345-684c9e03f590 Environmental → Water → Long-term EF 3.1 kg 0
cd04d47e-75c2-4fc9-b33d-2daa612d77ea Environmental → Water → Ocean EF 3.1 kg 2
ffcdd53f-b330-43a6-84ea-d7bcf2eda84d Environmental → Water → Surface water EF 3.1 kg 2
3dfab235-d7c0-45af-ab72-990144997c54 Environmental → Water → Unknown EF 3.1 kg 2

History

Everything that changed this substance (54 changes)

Open the changes page

Full record

Flow object JSON
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      }
    }
  },
  "origin_qualifier": null,
  "parent_flow_object_id": null,
  "parent_intervention_id": null,
  "@type": [
    "https://w3id.org/chemrof/NeutralMolecule"
  ]
}

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