2-Benzyl-5-Cyano-4-Oxopentanoic Acid
[CAS# 126121-83-3]

Identification

• Name: 2-Benzyl-5-Cyano-4-Oxopentanoic Acid
• Synonyms: (2R)-2-(Benzyl)-5-Cyano-4-Keto-Valeric Acid; 2-Benzyl-5-Cyano-4-Oxopentanoic Acid; Bcopa
• Molecular Formula: C₁₃H₁₃NO₃
• Molecular Weight: 231.25
• CAS Registry Number: 126121-83-3
• SMILES: [C@@H](C(=O)O)(CC1=CC=CC=C1)CC(CC#N)=O
• InChI: 1S/C13H13NO3/c14-7-6-12(15)9-11(13(16)17)8-10-4-2-1-3-5-10/h1-5,11H,6,8-9H2,(H,16,17)/t11-/m1/s1
• InChIKey: AQDFTKPHMZIIEF-LLVKDONJSA-N