Consensus flow list

Identity

Type
Neutral molecule
CAS
63562-33-4
EC
426-480-5
Origin
EF 3.1 hybrid_name_cas_v1
Changes
55 across every transformer

Structure

Structure diagram for Butanedioic Acid, [(6-oxido-6h-dibenz[c,e][1,2]oxaphosphorin-6-yl)methyl]-

Alternative labels

11

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string XZAXQWXHBDKYJI-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C17H15O6P/c18-16(19)9-11(17(20)21)10-24(22)15-8-4-2-6-13(15)12-5-1-3-7-14(12)23-24/h1-8,11H,9-10H2,(H,18,19)(H,20,21)
IUPAC name chemrof:IUPAC_name Butanedioic Acid, [(6-oxido-6h-dibenz[c,e][1,2]oxaphosphorin-6-yl)methyl]-
Molecular formula chemrof:molecular_formula C17H15O6P
Molecular mass chemrof:molecular_mass 346.275
Monoisotopic mass chemrof:monoisotopic_mass 346.060625
SMILES string chemrof:smiles_string O=C(O)CC(CP1(=O)Oc2ccccc2-c2ccccc21)C(=O)O

Known URLs

8

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=63562-33-4 enrich_references.pubchem_identifier_url
chem.echa.europa.eu https://chem.echa.europa.eu/100.102.494 enrich_references.pubchem_identifier_url
chem.echa.europa.eu https://chem.echa.europa.eu/100.149.386 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID00886624 enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J429.606K enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J958.829I enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/6454648 enrich_references.pubchem_compound
wikidata.org https://www.wikidata.org/wiki/Q72498440 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
09913f50-0f81-466a-b843-dae70394e392 Environmental → Air → Aircraft cruise height EF 3.1 kg 2
d9acbed8-7d96-439a-8d92-15b4516ad400 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
88e2927e-86c6-4e48-82d0-4d256ca5442d Environmental → Air → Indoor EF 3.1 kg 2
d285a10b-cb1c-48bc-846e-6fc7acfb10a4 Environmental → Air → Long-term EF 3.1 kg 0
902ca660-e763-431e-896f-5403aeeee249 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
17b84d5e-7567-476f-b02d-6c05c58a4183 Environmental → Air → Unknown EF 3.1 kg 2
02edb641-72ad-40f6-aa45-1cbb182d9fdd Environmental → Ground → Agricultural EF 3.1 kg 2
c58c7c32-5ed8-43ef-8751-a2e656154754 Environmental → Ground → Non-agricultural EF 3.1 kg 2
bb92f963-750b-4dca-b817-e2b8379f68ed Environmental → Ground → Unknown EF 3.1 kg 2
c969066e-caae-4456-901b-3f539ac01af1 Environmental → Water → Long-term EF 3.1 kg 0
2c7f04fa-2382-4425-aea0-4492a48a3231 Environmental → Water → Ocean EF 3.1 kg 2
24328053-1f0b-406c-b613-4a665fcb4ecb Environmental → Water → Surface water EF 3.1 kg 2
c70b4635-4215-4b39-9ef4-6bca2a5372fd 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-3f633bf75bee2f84",
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  ],
  "altLabel": [
    {
      "@value": "10-(9,10-Dihydro-9-oxa-10-phosphaphenanthrene-10-oxide)-2-methylbutanedicarboxylic acid",
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      "rdfs:seeAlso": [
        "https://echa.europa.eu/search-for-chemicals?query=426-480-5"
      ],
      "provenance": {
        "prov:wasGeneratedBy": "hybrid_name_cas_v1",
        "prov:wasAttributedTo": "consensus-flow-list",
        "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"
  ]
}

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