3-[3-(3-Methoxyphenyl)propanoyl]benzonitrile
[CAS# 898774-52-2]

Identification

• Name: 3-[3-(3-Methoxyphenyl)propanoyl]benzonitrile
• Synonyms: 3'-cyano-3-(3-methoxyphenyl)propiophenone
• Molecular Formula: C₁₇H₁₅NO₂
• Molecular Weight: 265.31
• CAS Registry Number: 898774-52-2
• SMILES: COc2cc(CCC(=O)c1cccc(C#N)c1)ccc2
• InChI: 1S/C17H15NO2/c1-20-16-7-3-4-13(11-16)8-9-17(19)15-6-2-5-14(10-15)12-18/h2-7,10-11H,8-9H2,1H3
• InChIKey: KQZZVNGLPVIKQT-UHFFFAOYSA-N

Properties

• Density: 1.162g/cm³ (Cal.)
• Boiling point: 453.794°C at 760 mmHg (Cal.)
• Flash point: 197.887°C (Cal.)
• Refractive index: 1.583 (Cal.)