2-[(3-Oxocyclohexyl)methyl]benzonitrile
[CAS# 898785-05-2]

Identification

• Name: 2-[(3-Oxocyclohexyl)methyl]benzonitrile
• Synonyms: 2-[(3-Oxocyclohexyl)methyl]benzonitrile
• Molecular Formula: C₁₄H₁₅NO
• Molecular Weight: 213.27
• CAS Registry Number: 898785-05-2
• SMILES: N#Cc2ccccc2CC1CC(=O)CCC1
• InChI: 1S/C14H15NO/c15-10-13-6-2-1-5-12(13)8-11-4-3-7-14(16)9-11/h1-2,5-6,11H,3-4,7-9H2
• InChIKey: YTGHNPUEYKJZMS-UHFFFAOYSA-N

Properties

• Density: 1.101g/cm³ (Cal.)
• Boiling point: 363.81°C at 760 mmHg (Cal.)
• Flash point: 173.827°C (Cal.)
• Refractive index: 1.55 (Cal.)