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CHEBI:40131 - 5-phenylpentanoic acid

ChEBI IDCHEBI:40131
ChEBI Name5-phenylpentanoic acid
Stars
DefinitionA monocarboxylic acid that is valeric acid substituted by a phenyl group at the δ-position.
Last Modified13 May 2014
DownloadsMolfile
FormulaC11H14O2
Net Charge0
Average Mass178.231
Monoisotopic Mass178.09938
SMILESO=C(O)CCCCc1ccccc1
InChIInChI=1S/C11H14O2/c12-11(13)9-5-4-8-10-6-2-1-3-7-10/h1-3,6-7H,4-5,8-9H2,(H,12,13)
InChIKeyBYHDDXPKOZIZRV-UHFFFAOYSA-N
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
5-phenylpentanoic acid (CHEBI:40131) has functional parent valeric acid (CHEBI:17418)
5-phenylpentanoic acid (CHEBI:40131) is a benzenes (CHEBI:22712)
5-phenylpentanoic acid (CHEBI:40131) is a monocarboxylic acid (CHEBI:25384)
IUPAC Name 
5-phenylpentanoic acid
Synonyms  Source
5-PHENYLVALERIC ACIDPDBeChem
Benzenepentanoic-acidNIST Chemistry WebBook
Phenylpentanoic acidChemIDplus
Phenylvaleric acidChemIDplus
δ-phenylvaleric acidNIST Chemistry WebBook
Manual XrefsDatabases
5PVPDBeChem
HMDB0002043HMDB
Registry NumbersSources
Reaxys:2049062Reaxys
CAS:2270-20-4NIST Chemistry WebBook
CAS:2270-20-4ChemIDplus
Citations