Consensus flow list

Identity

Type
Neutral molecule
CAS
471-25-0
EC
207-437-8
Origin
EF 3.1 hybrid_name_cas_v1
Changes
57 across every transformer

Structure

Structure diagram for Propiolic Acid

Alternative labels

13

Properties

PropertyValue
Elemental charge chemrof:elemental_charge 0
InChI2D key string chemrof:inchi2d_key_string UORVCLMRJXCDCP-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C3H2O2/c1-2-3(4)5/h1H,(H,4,5)
IUPAC name chemrof:IUPAC_name Propiolic Acid
Molecular formula chemrof:molecular_formula C3H2O2
Molecular mass chemrof:molecular_mass 70.047
Monoisotopic mass chemrof:monoisotopic_mass 70.005479, 70.00548
SMILES string chemrof:smiles_string C#CC(=O)O

Known URLs

22

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=26969-44-8 enrich_references.pubchem_identifier_url
CAS Common Chemistry https://commonchemistry.cas.org/detail?cas_rn=471-25-0 enrich_references.chebi_xrefs
ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:33199 enrich_references.chebi_id_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.006.763 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID6060050 enrich_references.pubchem_identifier_url
dtp.cancer.gov https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=16152 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL1213530 enrich_references.pubchem_identifier_url
gmelin gmelin:81893 enrich_references.chebi_xrefs
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/P2QW39G9LZ enrich_references.pubchem_identifier_url
HMDB https://hmdb.ca/metabolites/HMDB0006804 enrich_references.chebi_xrefs
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J5.941B enrich_references.pubchem_identifier_url
KEGG https://www.genome.jp/entry/C00804 enrich_references.chebi_xrefs
kegg.jp https://www.kegg.jp/entry/C00804 enrich_references.pubchem_identifier_url
metabolomicsworkbench.org https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=39044 enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/10110 enrich_references.pubchem_compound
PubMed https://pubmed.ncbi.nlm.nih.gov/10564044 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/10814124 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/11052721 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/21443194 enrich_references.chebi_xrefs
reaxys reaxys:878176 enrich_references.chebi_xrefs
wikidata.org https://www.wikidata.org/wiki/Q257590 enrich_references.pubchem_identifier_url
Wikipedia https://en.wikipedia.org/wiki/Propiolic_acid enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
0f844228-95ee-4afd-b1a5-835a5b670284 Environmental → Air → Aircraft cruise height EF 3.1 kg 2
3922a2cb-cbf0-4619-870c-570e42c34e99 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
e6d0afd6-c3a8-42e6-8db7-219ef51f568e Environmental → Air → Indoor EF 3.1 kg 2
427e6611-a275-46d5-b673-a6c6b50e4e8d Environmental → Air → Long-term EF 3.1 kg 0
89481d5c-ceb8-44b0-bd19-bbc2bc99daab Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
8692b747-343a-437d-8f57-08689c8bf35b Environmental → Air → Unknown EF 3.1 kg 2
9705f92c-97de-4ee2-abd5-a74dc1d1cb52 Environmental → Ground → Agricultural EF 3.1 kg 2
c35e93e0-509f-4131-bb39-1949e2fe262b Environmental → Ground → Non-agricultural EF 3.1 kg 2
615d5672-9840-4bd1-9f44-be17258b943d Environmental → Ground → Unknown EF 3.1 kg 2
71619000-ad18-477a-bac9-51c0a783a1ac Environmental → Water → Long-term EF 3.1 kg 0
7eb9542f-a13f-4da6-a96b-9a75d012187d Environmental → Water → Ocean EF 3.1 kg 2
570bfdac-2c8c-443a-bc29-b967b6360e07 Environmental → Water → Surface water EF 3.1 kg 2
ac046aed-0a5c-4f74-8bcf-bc3d2d10d046 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
{
  "flow_object_id": "fo-a3d1ac939b567c00",
  "prefLabel": [
    {
      "@value": "Propiolic Acid",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        "prov:wasDerivedFrom": "legacy name field"
      }
    }
  ],
  "altLabel": [
    {
      "@value": "2-Propyne-1-carboxylic acid",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        "prov:hadPrimarySource": [
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          "https://commonchemistry.cas.org/detail?cas_rn=471-25-0"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "2-propynoic acid",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "Acetylenecarboxylic acid",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "Acetylenemonocarboxylic acid",
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        "prov:wasDerivedFrom": "common chemistry CAS lookup"
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    },
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      }
    },
    {
      "@value": "carboxyacetylene",
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      "provenance": {
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    {
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    },
    {
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        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "propargylic acid",
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      "provenance": {
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    },
    {
      "@value": "Propinsaeure",
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    },
    {
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