(2E)-3-[(1R,3S,5S)-6,6-Dimethylbicyclo[3.1.0]Hex-3-Yl]-2-Butenenitrile
[CAS# 213529-80-7]

Identification

• Name: (2E)-3-[(1R,3S,5S)-6,6-Dimethylbicyclo[3.1.0]Hex-3-Yl]-2-Butenenitrile
• Synonyms: (E)-3-((1R,3s,5S)-6,6-dimethylbicyclo[3.1.0]hexan-3-yl)but-2-enenitrile
• Molecular Formula: C₁₂H₁₇N
• Molecular Weight: 175.27
• CAS Registry Number: 213529-80-7
• SMILES: C/C(=C\C#N)/[C@@H]1C[C@@H]2[C@H](C1)C2(C)C
• InChI: 1S/C12H17N/c1-8(4-5-13)9-6-10-11(7-9)12(10,2)3/h4,9-11H,6-7H2,1-3H3/b8-4+/t9-,10-,11+
• InChIKey: YKEPUFAJAGXGMZ-FRAVVCFLSA-N

Properties

• Density: 1.0±0.1g/cm³ (Cal.)
• Boiling point: 260.8±9.0°C at 760 mmHg (Cal.)
• Flash point: 111.6±11.2°C (Cal.)
• Refractive index: 1.505 (Cal.)