MF: C9H7NO2
MW: 161.16g/mol
IUPAC Name: 3-(cyanomethyl)benzoic acid
Isomeric SMILES: C1=CC(=CC(=C1)C(=O)O)CC#N
InChIKey: DATIHVJZEPOWPT-UHFFFAOYSA-N
InChI: InChI=1S/C9H7NO2/c10-5-4-7-2-1-3-8(6-7)9(11)12/h1-3,6H,4H2,(H,11,12)
CAS:5689-33-8