[(1S,6S)-6-Acetyl-2-cyclohexen-1-yl]acetonitrile
[CAS# 85251-21-4]

Identification

• Name: [(1S,6S)-6-Acetyl-2-cyclohexen-1-yl]acetonitrile
• Synonyms: 2-((1S,6S)-6-acetylcyclohex-2-en-1-yl)acetonitrile
• Molecular Formula: C₁₀H₁₃NO
• Molecular Weight: 163.22
• CAS Registry Number: 85251-21-4
• SMILES: CC(=O)[C@H]1CCC=C[C@@H]1CC#N
• InChI: 1S/C10H13NO/c1-8(12)10-5-3-2-4-9(10)6-7-11/h2,4,9-10H,3,5-6H2,1H3/t9-,10-/m1/s1
• InChIKey: RRPCUFXFMHDVRP-NXEZZACHSA-N

Properties

• Density: 1.008g/cm³ (Cal.)
• Boiling point: 301.949°C at 760 mmHg (Cal.)
• Flash point: 136.414°C (Cal.)