(1R,4R,5S)-5-Ethynylbicyclo[2.2.2]octan-2-one
[CAS# 697751-11-4]

Identification

• Name: (1R,4R,5S)-5-Ethynylbicyclo[2.2.2]octan-2-one
• Molecular Formula: C₁₀H₁₂O
• Molecular Weight: 148.20
• CAS Registry Number: 697751-11-4
• SMILES: C#C[C@H]1C[C@H]2CC[C@@H]1CC2=O
• InChI: 1S/C10H12O/c1-2-7-5-9-4-3-8(7)6-10(9)11/h1,7-9H,3-6H2/t7-,8+,9+/m0/s1
• InChIKey: JZHFUXFXJWPLTR-DJLDLDEBSA-N

Properties

• Density: 1.1±0.1g/cm³ (Cal.)
• Boiling point: 227.1±29.0°C at 760 mmHg (Cal.)
• Flash point: 87.3±19.2°C (Cal.)
• Refractive index: 1.512 (Cal.)