4-(3-Cyanophenyl)-2-Methyl-4-Oxobutanoic Acid
[CAS# 34243-97-5]

Identification

• Name: 4-(3-Cyanophenyl)-2-Methyl-4-Oxobutanoic Acid
• Synonyms: 4-(3-Cyanophenyl)-2-methyl-4-oxobutanoic acid #; Propionic acid, 3-(m-cyanobenzoyl)-2-methyl-; β-(3-Cyanobenzoyl)-α-methylpropionic acid
• Molecular Formula: C₁₂H₁₁NO₃
• Molecular Weight: 217.22
• CAS Registry Number: 34243-97-5
• SMILES: N#Cc1cc(C(=O)CC(C(=O)O)C)ccc1
• InChI: 1S/C12H11NO3/c1-8(12(15)16)5-11(14)10-4-2-3-9(6-10)7-13/h2-4,6,8H,5H2,1H3,(H,15,16)
• InChIKey: IREPOFMLJUAJNI-UHFFFAOYSA-N

Properties

• Density: 1.246g/cm³ (Cal.)
• Boiling point: 434.023°C at 760 mmHg (Cal.)
• Flash point: 216.29°C (Cal.)