Consensus flow list

Identity

Type
Neutral molecule
CAS
618-83-7
EC
210-565-7
Origin
EF 3.1 hybrid_name_cas_v1
Changes
55 across every transformer

Structure

Structure diagram for 5-hydroxyisophthalic Acid

Alternative labels

5

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string QNVNLUSHGRBCLO-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C8H6O5/c9-6-2-4(7(10)11)1-5(3-6)8(12)13/h1-3,9H,(H,10,11)(H,12,13)
IUPAC name chemrof:IUPAC_name 5-hydroxyisophthalic Acid
Molecular formula chemrof:molecular_formula C8H6O5
Molecular mass chemrof:molecular_mass 182.131
Monoisotopic mass chemrof:monoisotopic_mass 182.021523
SMILES string chemrof:smiles_string O=C(O)c1cc(O)cc(C(=O)O)c1

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=618-83-7 enrich_references.pubchem_identifier_url
ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:229984 enrich_references.pubchem_identifier_url
chem.echa.europa.eu https://chem.echa.europa.eu/100.009.606 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID1060687 enrich_references.pubchem_identifier_url
dtp.cancer.gov https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=302088 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/95UD7B188K enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J38.927G enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/69257 enrich_references.pubchem_compound
wikidata.org https://www.wikidata.org/wiki/Q72484591 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
874a7716-4c86-4d30-8521-9e1edae04c53 Environmental → Air → Aircraft cruise height EF 3.1 kg 2
adc4787f-a6c6-44de-8459-fd01380b67b5 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
23f113c3-574c-4930-b38f-1d5cc6390f7c Environmental → Air → Indoor EF 3.1 kg 2
3669ed21-a7c9-43d1-893a-507b3b4c08ea Environmental → Air → Long-term EF 3.1 kg 0
d06676d7-a1e7-4ba6-aff0-f87372711db9 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
d0146ae7-8e9c-44ce-82a8-3c511516e42f Environmental → Air → Unknown EF 3.1 kg 2
7bc61fc5-703b-4c22-a585-afaf6da54044 Environmental → Ground → Agricultural EF 3.1 kg 2
641e83a8-7715-4391-bb53-5aebade3c59b Environmental → Ground → Non-agricultural EF 3.1 kg 2
90ebf6d5-cb9d-492d-89e7-1ec16fe04f17 Environmental → Ground → Unknown EF 3.1 kg 2
210e3499-7cf1-41a4-88c4-7f4fd920a671 Environmental → Water → Long-term EF 3.1 kg 0
5228ba0e-5e8a-49d6-b153-995fedeab096 Environmental → Water → Ocean EF 3.1 kg 2
67f9f934-cb58-4ddc-906b-26b436ad1445 Environmental → Water → Surface water EF 3.1 kg 2
4459dcbc-ab51-4502-aa86-d5e992b84459 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-00c448f7a6fb7962",
  "prefLabel": [
    {
      "@value": "5-hydroxyisophthalic Acid",
      "@language": "en",
      "@lang": "en",
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        "prov:wasDerivedFrom": "legacy name field"
      }
    }
  ],
  "altLabel": [
    {
      "@value": "1,3-Benzenedicarboxylic acid, 5-hydroxy-",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "3,5-Dicarboxyphenol",
      "@language": "en",
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      "provenance": {
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "5-Hydroxy-1,3-benzenedicarboxylic acid",
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      }
    },
    {
      "@value": "5-Hydroxybenzene-1,3-dioic acid",
      "@language": "en",
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