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CHEBI:90355 - phenylpropiolic acid

ChEBI IDCHEBI:90355
ChEBI Namephenylpropiolic acid
Stars
DefinitionAn acetylenic compound that is propynoic acid in which the acetylenic hydrogen is replaced by a phenyl group.
Last Modified23 June 2016
Submittermwilliams
DownloadsMolfile
FormulaC9H6O2
Net Charge0
Average Mass146.145
Monoisotopic Mass146.03678
SMILESO=C(O)C#Cc1ccccc1
InChIInChI=1S/C9H6O2/c10-9(11)7-6-8-4-2-1-3-5-8/h1-5H,(H,10,11)
InChIKeyXNERWVPQCYSMLC-UHFFFAOYSA-N
Wikipedia
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) - MetaboLights (MTBLS225)
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
phenylpropiolic acid (CHEBI:90355) has functional parent propynoic acid (CHEBI:33199)
phenylpropiolic acid (CHEBI:90355) is a acetylenic compound (CHEBI:73474)
phenylpropiolic acid (CHEBI:90355) is a benzenes (CHEBI:22712)
phenylpropiolic acid (CHEBI:90355) is a α,β-unsaturated monocarboxylic acid (CHEBI:79020)
IUPAC Name 
3-phenyl-2-propynoic acid
Synonyms  Source
3-Phenylpropynoic acidHMDB
Phenylacetylenecarboxylic acidHMDB
beta-Phenylpropargylic acidHMDB
Phenylpropynoic acidHMDB
Phenylacetylene monocarboxylic acidHMDB
3-Phenylpropiolic acidChemIDplus
Manual XrefsDatabases
HMDB0002359HMDB
Phenylpropiolic_acidWikipedia
Registry NumbersSources
Reaxys:742587Reaxys
CAS:637-44-5ChemIDplus
CAS:637-44-5NIST Chemistry WebBook
Citations