(1R,2R,3S,4S,5R,6S)-3-Acetyltricyclo[3.2.1.0^2,4]Octane-6-Carbonitrile
[CAS# 256398-13-7]

Identification

• Name: (1R,2R,3S,4S,5R,6S)-3-Acetyltricyclo[3.2.1.0^2,4]Octane-6-Carbonitrile
• Synonyms: (1R,2R,3S,4S,5R,6S)-3-acetyltricyclo[3.2.1.02,4]octane-6-carbonitrile
• Molecular Formula: C₁₁H₁₃NO
• Molecular Weight: 175.23
• CAS Registry Number: 256398-13-7
• SMILES: CC(=O)[C@H]1[C@H]2[C@@H]1[C@H]3C[C@@H]2C[C@@H]3C#N
• InChI: 1S/C11H13NO/c1-5(13)9-10-6-2-7(4-12)8(3-6)11(9)10/h6-11H,2-3H2,1H3/t6-,7+,8-,9-,10-,11+/m0/s1
• InChIKey: LPBLIKOGYGLBMG-HQPKYVJOSA-N

Properties

• Density: 1.2±0.1g/cm³ (Cal.)
• Boiling point: 324.2±25.0°C at 760 mmHg (Cal.)
• Flash point: 149.9±23.2°C (Cal.)
• Refractive index: 1.542 (Cal.)