3-[3-(4-Methoxyphenyl)propanoyl]benzonitrile
[CAS# 898775-58-1]

Identification

• Name: 3-[3-(4-Methoxyphenyl)propanoyl]benzonitrile
• Synonyms: 3'-cyano-3-(4-methoxyphenyl)propiophenone
• Molecular Formula: C₁₇H₁₅NO₂
• Molecular Weight: 265.31
• CAS Registry Number: 898775-58-1
• SMILES: COc2ccc(CCC(=O)c1cccc(C#N)c1)cc2
• InChI: 1S/C17H15NO2/c1-20-16-8-5-13(6-9-16)7-10-17(19)15-4-2-3-14(11-15)12-18/h2-6,8-9,11H,7,10H2,1H3
• InChIKey: RUEMHWSGWSJRLC-UHFFFAOYSA-N

Properties

• Density: 1.162g/cm³ (Cal.)
• Boiling point: 454.179°C at 760 mmHg (Cal.)
• Flash point: 198.047°C (Cal.)
• Refractive index: 1.583 (Cal.)