CHEBI:1461 - 3-butynoic acid

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ChEBI Name 3-butynoic acid ChEBI ID CHEBI:1461 Definition A monocarboxylic acid consisting of acetylene carrying a carboxymethyl group. Stars This entity has been manually annotated by the ChEBI Team. Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C4H4O2 Net Charge 0 Average Mass 84.07340 Monoisotopic Mass 84.02113 InChI InChI=1S/C4H4O2/c1-2-3-4(5)6/h1H,3H2,(H,5,6) InChIKey KKAHGSQLSTUDAV-UHFFFAOYSA-N SMILES OC(=O)CC#C Roles Classification Chemical Role(s): Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Bronsted base). (via oxoacid ) View more via ChEBI Ontology ChEBI Ontology Outgoing 3-butynoic acid (CHEBI:1461) is a monocarboxylic acid (CHEBI:25384) 3-butynoic acid (CHEBI:1461) is a terminal acetylenic compound (CHEBI:73477) 3-butynoic acid (CHEBI:1461) is conjugate acid of 3-butynoate (CHEBI:62211) Incoming 3-butynoate (CHEBI:62211) is conjugate base of 3-butynoic acid (CHEBI:1461) IUPAC Name but-3-ynoic acid Synonyms Sources But-3-insäure ChEBI But-3-ynoate KEGG COMPOUND CH≡CCH2COOH NIST Chemistry WebBook Manual Xref Database C06144 KEGG COMPOUND View more database links Registry Numbers Types Sources 1739296 Reaxys Registry Number Reaxys 2345-51-9 CAS Registry Number NIST Chemistry WebBook 2345-51-9 CAS Registry Number ChemIDplus Citation Type Source 14533157 PubMed citation Europe PMC Last Modified 28 July 2014