CHEBI:90355 - phenylpropiolic acid

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ChEBI Name phenylpropiolic acid
ChEBI ID CHEBI:90355
Definition An acetylenic compound that is propynoic acid in which the acetylenic hydrogen is replaced by a phenyl group.
Stars This entity has been manually annotated by the ChEBI Team.
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Formula C9H6O2
Net Charge 0
Average Mass 146.143
Monoisotopic Mass 146.03678
InChI InChI=1S/C9H6O2/c10-9(11)7-6-8-4-2-1-3-5-8/h1-5H,(H,10,11)
InChIKey XNERWVPQCYSMLC-UHFFFAOYSA-N
SMILES OC(=O)C#CC=1C=CC=CC1
Metabolite of Species Details
Mus musculus (NCBI:txid10090) See: MetaboLights Study
Roles Classification
Chemical Role(s): Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Bronsted base).
(via oxoacid )
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ChEBI Ontology
Outgoing phenylpropiolic acid (CHEBI:90355) has functional parent propynoic acid (CHEBI:33199)
phenylpropiolic acid (CHEBI:90355) is a α,β-unsaturated monocarboxylic acid (CHEBI:79020)
phenylpropiolic acid (CHEBI:90355) is a acetylenic compound (CHEBI:73474)
phenylpropiolic acid (CHEBI:90355) is a benzenes (CHEBI:22712)
IUPAC Name
3-phenyl-2-propynoic acid
Synonyms Sources
3-Phenylpropiolic acid ChemIDplus
3-Phenylpropynoic acid HMDB
β-phenylpropargylic acid NIST Chemistry WebBook
beta-Phenylpropargylic acid HMDB
Phenylacetylene monocarboxylic acid HMDB
Phenylacetylenecarboxylic acid HMDB
Phenylpropynoic acid HMDB
Manual Xrefs Databases
HMDB0002359 HMDB
Phenylpropiolic_acid Wikipedia
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Registry Numbers Types Sources
637-44-5 CAS Registry Number NIST Chemistry WebBook
637-44-5 CAS Registry Number ChemIDplus
742587 Reaxys Registry Number Reaxys
Citations Waiting for Citations Types Sources
11924854 PubMed citation Europe PMC
16826299 PubMed citation Europe PMC
25652283 PubMed citation Europe PMC
Last Modified
23 June 2016