2-[3-(4-Methoxyphenyl)propanoyl]benzonitrile
[CAS# 898775-56-9]

Identification

• Name: 2-[3-(4-Methoxyphenyl)propanoyl]benzonitrile
• Synonyms: 2'-cyano-3-(4-methoxyphenyl)propiophenone
• Molecular Formula: C₁₇H₁₅NO₂
• Molecular Weight: 265.31
• CAS Registry Number: 898775-56-9
• SMILES: COc2ccc(CCC(=O)c1ccccc1C#N)cc2
• InChI: 1S/C17H15NO2/c1-20-15-9-6-13(7-10-15)8-11-17(19)16-5-3-2-4-14(16)12-18/h2-7,9-10H,8,11H2,1H3
• InChIKey: CJJIVSSXRZIDMS-UHFFFAOYSA-N

Properties

• Density: 1.162g/cm³ (Cal.)
• Boiling point: 456.917°C at 760 mmHg (Cal.)
• Flash point: 199.19°C (Cal.)
• Refractive index: 1.583 (Cal.)