3-(1-Cyanoethyl)benzoic Acid

• CAT Number: R041656
• CAS Number: 5537-71-3
• Molecular Formula: C10H9NO2
• Molecular Weight: 175.187
• Purity: ≥95%
• Synonyms: 2-(3-Carboxyphenyl)propionitrile; 3-(1-Cyanoethyl)benzoic Acid; DF 2107Y; NSC 113992; m-(1-Cyanoethyl)benzoic Acid
• Storage: Store at RT
• IUPAC Name: 3-(1-cyanoethyl)benzoic acid
• InChI: InChI=1S/C10H9NO2/c1-7(6-11)8-3-2-4-9(5-8)10(12)13/h2-5,7H,1H3,(H,12,13)
• InChIKey: IRYIYPWRXROPSX-UHFFFAOYSA-N
• SMILES: CC(C#N)C1=CC=CC(=C1)C(=O)O