4-phenylbutyric acid

• 4-phenylbutyric acid
• bmse000701 - data

InCHi String:
InChI=1S/C10H12O2/c11-10(12)8-4-7-9-5-2-1-3-6-9/h1-3,5-6H,4,7-8H2,(H,11,12)

canonical and isomeric SMILES:
C1=CC=C(C=C1)CCCC(=O)O


PUBCHEM iupac NAME: PUBCHEM iupac OPENEYE NAME: PUBCHEM iupac CAS NAME: PUBCHEM iupac SYSTEMATIC NAME
4-phenylbutanoic acid

PUBCHEM iupac TRADITIONAL NAME
4-phenylbutyric acid



PubChem Substance (SID):   111677838   57288416   10381742
PubChem Compound (CID):   4775
KEGG: Compound ID   P21005_ALDRICH
CAS Registry IDs:   1821-12-1
PDB Chemical Component   CLT
Miscellaneous Databases and IDs:   Sigma-Aldrich P21005_ALDRICH   EPA DSSTox 57484   Shanghai Institute of Organic Chemistry 2ay7   NIST Chemistry WebBook 2077282917   NIST 2077282917   MMCD cq_10678   MDL MFCD00004403