3-Acetyl-4-Oxocyclohexanecarbonitrile
[CAS# 127682-20-6]

Identification

• Name: 3-Acetyl-4-Oxocyclohexanecarbonitrile
• Synonyms: 3-acetyl-4-oxocyclohexanecarbonitrile
• Molecular Formula: C₉H₁₁NO₂
• Molecular Weight: 165.19
• CAS Registry Number: 127682-20-6
• SMILES: CC(=O)C1CC(CCC1=O)C#N
• InChI: 1S/C9H11NO2/c1-6(11)8-4-7(5-10)2-3-9(8)12/h7-8H,2-4H2,1H3
• InChIKey: JDAWWDWUQMCZFD-UHFFFAOYSA-N

Properties

• Density: 1.115g/cm³ (Cal.)
• Boiling point: 342.961°C at 760 mmHg (Cal.)
• Flash point: 161.217°C (Cal.)
• Refractive index: 1.476 (Cal.)