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Phenylacetic Acid
Phenylacetic Acid synonyms
Acetic acid, phenyl-; Phenylacetic acid; Phenyllacetic acid; alpha-Toluic acid; 2-Phenylacetic acid; Benzenacetic acid; Kyselina fenyloctova [Czech]; Phenylacetate; Phenylethanoic acid; Benzylformic acid; Benzylcarboxylic acid
Molecular Formula: C8 H8 O2
Natural Isotopic Abundance Mass: 136.1479200000
Mono-Isotopic Molecular Masses:
- C12N14: 136.052429501
- C13N14: 144.079268203
- C12N15: 136.052429501
- C13N15: 144.079268203
InChI String: InChI=1S/C8H8O2/c9-8(10)6-7-4-2-1-3-5-7/h1-5H,6H2,(H,9,10)
isomeric and canonical SMILES: C1=CC=C(C=C1)CC(=O)O
IUPAC: IUPAC traditional: IUPAC cas: IUPAC openeye
2-phenylacetic acid
IUPAC systematic
2-phenylethanoic acid
PubChem Compound (CID): 999
KEGG: Compound ID C07086
CAS Registry IDs: 103-82-2 114-70-5 13005-36-2 52009-49-1 7188-16-1
PDB Chemical Component PAC
Miscellaneous Databases and IDs: CHEBI 30745 EINECS 203-148-6 HSDB 5010 NSC 125718 FEMA No. 2878 Beilstein Handbook Reference 4-09-00-01614
Reference data were obtained primarily from the PubChem database.
Three dimensional molecular rendering uses Jmol.
Atom numbering calculated using ALATIS. Citation: Hesam Dashti, William M. Westler, John L. Markley, Hamid R. Eghbalnia, "Unique identifiers for small molecules enable rigorous labeling of their atoms", Scientific Data 4, Article number: 170073 (2017), doi:10.1038/sdata.2017.73, https://www.nature.com/articles/sdata201773