(2S,3aR,6aS)-4-Oxo-2-Vinylhexahydro-3A(1H)-Pentalenecarbonitrile
[CAS# 164213-16-5]

Identification

• Name: (2S,3aR,6aS)-4-Oxo-2-Vinylhexahydro-3A(1H)-Pentalenecarbonitrile
• Synonyms: (2S,3aR,6aS)-4-oxo-2-vinyloctahydropentalene-3a-carbonitrile
• Molecular Formula: C₁₁H₁₃NO
• Molecular Weight: 175.23
• CAS Registry Number: 164213-16-5
• SMILES: C=C[C@H]1C[C@@H]2CCC(=O)[C@@]2(C1)C#N
• InChI: 1S/C11H13NO/c1-2-8-5-9-3-4-10(13)11(9,6-8)7-12/h2,8-9H,1,3-6H2/t8-,9-,11-/m0/s1
• InChIKey: SDQKIIPLCIIXGD-QXEWZRGKSA-N

Properties

• Density: 1.1±0.1g/cm³ (Cal.)
• Boiling point: 310.6±42.0°C at 760 mmHg (Cal.)
• Flash point: 141.6±27.9°C (Cal.)
• Refractive index: 1.518 (Cal.)