[(1R,2S,5R)-5-Isopropenyl-2-methyl-3-oxocyclohexyl]malononitrile
[CAS# 807368-54-3]

Identification

• Name: [(1R,2S,5R)-5-Isopropenyl-2-methyl-3-oxocyclohexyl]malononitrile
• Synonyms: 2-((1R,2S,5R)-2-methyl-3-oxo-5-(prop-1-en-2-yl)cyclohexyl)malononitrile
• Molecular Formula: C₁₃H₁₆N₂O
• Molecular Weight: 216.28
• CAS Registry Number: 807368-54-3
• SMILES: C[C@H]1[C@H](C[C@H](CC1=O)C(=C)C)C(C#N)C#N
• InChI: 1S/C13H16N2O/c1-8(2)10-4-12(11(6-14)7-15)9(3)13(16)5-10/h9-12H,1,4-5H2,2-3H3/t9-,10+,12-/m0/s1
• InChIKey: INYUDHGXXVHINB-UMNHJUIQSA-N

Properties

• Density: 1.043g/cm³ (Cal.)
• Boiling point: 387.074°C at 760 mmHg (Cal.)
• Flash point: 187.896°C (Cal.)
• Refractive index: 1.486 (Cal.)