Phenylacetic Acid

Phenylacetic acid is the oxidation product of phenylethylamine when acted on by the enzyme monoamine oxidase found in humans. It may further be conjugated with glutamine producing phenylacetylglutamine or conjugated with glycine producing phenylacetylglycine.
PubChem Compound ID: 999
Molecular Weight: 136.14792 [g/mol]
Molecular Formula: C8H8O2
XLogP3: 1.4
H-Bond Donor: 1
H-Bond Acceptor: 2
IUPAC Name: 2-phenylacetic acid
InChI: InChI=1S/C8H8O2/c9-8(10)6-7-4-2-1-3-5-7/h1-5H,6H2,(H,9,10)
InChIKey: WLJVXDMOQOGPHL-UHFFFAOYSA-N
Canonical SMILES : C1=CC=C(C=C1)CC(=O)O
page revision: 3, last edited: 22 Feb 2013 00:05