Consensus flow list

Mucochloric Acid

fo-ffeeea9abe49f1fd

Identity

Type
Neutral molecule
CAS
87-56-9
EC
201-752-4
Origin
EF 3.1 hybrid_name_cas_v1
Changes
57 across every transformer

Structure

Structure diagram for Mucochloric Acid

This substance carries 2 candidate structures; the diagram is the first one RDKit could parse, not a settled answer.

Alternative labels

7

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string LUMLZKVIXLWTCI-IHWYPQMZSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C4H2Cl2O3/c5-2(1-7)3(6)4(8)9/h1H,(H,8,9)/b3-2-
Isomeric SMILES string chemrof:isomeric_smiles_string O=C/C(Cl)=C(/Cl)C(=O)O
IUPAC name chemrof:IUPAC_name Mucochloric Acid
Molecular formula chemrof:molecular_formula C4H2Cl2O3
Molecular mass chemrof:molecular_mass 168.963
Monoisotopic mass chemrof:monoisotopic_mass 167.938099
SMILES string chemrof:smiles_string O=CC(Cl)=C(Cl)C(=O)O

Known URLs

13

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=87-56-9 enrich_references.consensus_cas_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.001.594 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID7020423 enrich_references.pubchem_identifier_url
dtp.cancer.gov https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=15905 enrich_references.pubchem_identifier_url
dtp.cancer.gov https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=244774 enrich_references.pubchem_identifier_url
dtp.cancer.gov https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=35058 enrich_references.pubchem_identifier_url
dtp.cancer.gov https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=56325 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL1879926 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/5I5877JHIW enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J3.902K enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/2771871 enrich_references.pubchem_compound
wikidata.org https://www.wikidata.org/wiki/Q1951666 enrich_references.pubchem_identifier_url
Wikipedia https://en.wikipedia.org/wiki/Mucochloric_acid enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
72df5a36-a7f1-40c2-a037-38c7d1010bf0 Environmental → Air → Aircraft cruise height EF 3.1 kg 2
5fda55eb-d6b2-4614-9ea6-381df190ee0f Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
f7e547a6-df50-4497-a506-c554b6eea387 Environmental → Air → Indoor EF 3.1 kg 2
cf114fc9-e21c-4a7d-8301-1bf28e43c9ae Environmental → Air → Long-term EF 3.1 kg 0
078a8ed6-ef65-4c4f-b552-852b02f48c1a Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
4c8c3d44-b95f-43ea-98f1-c3d10fbb0303 Environmental → Air → Unknown EF 3.1 kg 2
6a7f7582-66ef-4239-9507-71f3f4314bc3 Environmental → Ground → Agricultural EF 3.1 kg 2
71255124-911b-4821-9c12-04466990c6f6 Environmental → Ground → Non-agricultural EF 3.1 kg 2
22673e25-0782-4f52-9485-7b9acc94b7e3 Environmental → Ground → Unknown EF 3.1 kg 2
0838d790-35e1-4dbf-82ad-cc1488b2e4e8 Environmental → Water → Long-term EF 3.1 kg 0
74f0f9be-f1bd-4fe7-a157-43eb40a0033c Environmental → Water → Ocean EF 3.1 kg 2
89176444-1ffc-4ba1-8ae0-5a19a9b9e35f Environmental → Water → Surface water EF 3.1 kg 2
6c5df21b-d8b7-4760-910c-75b2528465ab Environmental → Water → Unknown EF 3.1 kg 2

History

Everything that changed this substance (57 changes)

Open the changes page

Full record

Flow object JSON 
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      "http://www.w3.org/2004/02/skos/core#exactMatch": [
        {
          "@id": "https://commonchemistry.cas.org/detail?cas_rn=87-56-9"
        }
      ],
      "provenance": {
        "prov:wasGeneratedBy": "hybrid_name_cas_v1",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "EF 3.1"
        ],
        "prov:wasDerivedFrom": "cas_numbers"
      }
    },
    "http://semanticscience.org/resource/CHEMINF_000447": {
      "@value": [
        "201-752-4"
      ],
      "rdfs:seeAlso": [
        "https://echa.europa.eu/search-for-chemicals?query=201-752-4"
      ],
      "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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