(4aS)-7-Oxo-1,3,4,5,6,7-Hexahydro-4A(2H)-Naphthalenecarbonitrile
[CAS# 193222-44-5]

Identification

• Name: (4aS)-7-Oxo-1,3,4,5,6,7-Hexahydro-4A(2H)-Naphthalenecarbonitrile
• Synonyms: (S)-7-oxo-1,2,3,4,4a,5,6,7-octahydronaphthalene-4a-carbonitrile
• Molecular Formula: C₁₁H₁₃NO
• Molecular Weight: 175.23
• CAS Registry Number: 193222-44-5
• SMILES: C1CC[C@@]2(CCC(=O)C=C2C1)C#N
• InChI: 1S/C11H13NO/c12-8-11-5-2-1-3-9(11)7-10(13)4-6-11/h7H,1-6H2/t11-/m1/s1
• InChIKey: SMTLQNPPMNWICZ-LLVKDONJSA-N

Properties

• Density: 1.113g/cm³ (Cal.)
• Boiling point: 360.529°C at 760 mmHg (Cal.)
• Flash point: 171.842°C (Cal.)
• Refractive index: 1.53 (Cal.)