3-[3-(2-Methoxyphenyl)propanoyl]benzonitrile
[CAS# 898769-71-6]

Identification

• Name: 3-[3-(2-Methoxyphenyl)propanoyl]benzonitrile
• Synonyms: 3'-cyano-3-(2-methoxyphenyl)propiophenone
• Molecular Formula: C₁₇H₁₅NO₂
• Molecular Weight: 265.31
• CAS Registry Number: 898769-71-6
• SMILES: COc2ccccc2CCC(=O)c1cccc(C#N)c1
• InChI: 1S/C17H15NO2/c1-20-17-8-3-2-6-14(17)9-10-16(19)15-7-4-5-13(11-15)12-18/h2-8,11H,9-10H2,1H3
• InChIKey: DWOHWCMVAJEBAJ-UHFFFAOYSA-N

Properties

• Density: 1.162g/cm³ (Cal.)
• Boiling point: 443.017°C at 760 mmHg (Cal.)
• Flash point: 193.366°C (Cal.)
• Refractive index: 1.583 (Cal.)