(2E)-1-Cyano-3-Phenyl-2-Propen-1-Yl Benzoate
[CAS# 1591-17-9]

Identification

• Name: (2E)-1-Cyano-3-Phenyl-2-Propen-1-Yl Benzoate
• Synonyms: 1-Cyano-3-phenyl-2-propenyl benzoate; 2-Benzoyloxy-4-phenyl-3-butenenitrile; Benzoic acid, α-cyanocinnamyl ester
• Molecular Formula: C₁₇H₁₃NO₂
• Molecular Weight: 263.29
• CAS Registry Number: 1591-17-9
• SMILES: O=C(OC(C#N)\C=C\c1ccccc1)c2ccccc2
• InChI: 1S/C17H13NO2/c18-13-16(12-11-14-7-3-1-4-8-14)20-17(19)15-9-5-2-6-10-15/h1-12,16H/b12-11+
• InChIKey: HEHFCYOFVZHSGV-VAWYXSNFSA-N

Properties

• Density: 1.181g/cm³ (Cal.)
• Boiling point: 470.933°C at 760 mmHg (Cal.)
• Flash point: 235.236°C (Cal.)
• Refractive index: 1.617 (Cal.)