3-[(3-Oxocyclohexyl)methyl]benzonitrile
[CAS# 898785-01-8]

Identification

• Name: 3-[(3-Oxocyclohexyl)methyl]benzonitrile
• Synonyms: 3-[(3-Oxocyclohexyl)methyl]benzonitrile
• Molecular Formula: C₁₄H₁₅NO
• Molecular Weight: 213.27
• CAS Registry Number: 898785-01-8
• SMILES: N#Cc2cc(CC1CC(=O)CCC1)ccc2
• InChI: 1S/C14H15NO/c15-10-13-5-1-3-11(8-13)7-12-4-2-6-14(16)9-12/h1,3,5,8,12H,2,4,6-7,9H2
• InChIKey: VTZUIYVGEBLUQM-UHFFFAOYSA-N

Properties

• Density: 1.101g/cm³ (Cal.)
• Boiling point: 369.227°C at 760 mmHg (Cal.)
• Flash point: 177.103°C (Cal.)
• Refractive index: 1.55 (Cal.)