(3E)-4-(4-Cyano-3-methylphenyl)-3-butenoic acid
[CAS# 800395-55-5]

Identification

• Name: (3E)-4-(4-Cyano-3-methylphenyl)-3-butenoic acid
• Synonyms: (E)-4-(4-cyano-3-methylphenyl)but-3-enoic acid
• Molecular Formula: C₁₂H₁₁NO₂
• Molecular Weight: 201.22
• CAS Registry Number: 800395-55-5
• SMILES: Cc1cc(ccc1C#N)/C=C/CC(=O)O
• InChI: 1S/C12H11NO2/c1-9-7-10(3-2-4-12(14)15)5-6-11(9)8-13/h2-3,5-7H,4H2,1H3,(H,14,15)/b3-2+
• InChIKey: IRMPXPFTYOYTOE-NSCUHMNNSA-N

Properties

• Density: 1.187g/cm³ (Cal.)
• Boiling point: 419.24°C at 760 mmHg (Cal.)
• Flash point: 207.349°C (Cal.)
• Refractive index: 1.575 (Cal.)