2-[3-(3-Methoxyphenyl)propanoyl]benzonitrile
[CAS# 898774-49-7]

Identification

• Name: 2-[3-(3-Methoxyphenyl)propanoyl]benzonitrile
• Synonyms: 2'-cyano-3-(3-methoxyphenyl)propiophenone
• Molecular Formula: C₁₇H₁₅NO₂
• Molecular Weight: 265.31
• CAS Registry Number: 898774-49-7
• SMILES: COc2cc(CCC(=O)c1ccccc1C#N)ccc2
• InChI: 1S/C17H15NO2/c1-20-15-7-4-5-13(11-15)9-10-17(19)16-8-3-2-6-14(16)12-18/h2-8,11H,9-10H2,1H3
• InChIKey: OJKMTCRLQGGKOY-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.)