(1R,2S,3S,4R,5S)-3-Ethynyltricyclo[3.2.1.0^2,4]Octane
[CAS# 221100-80-7]

Identification

• Name: (1R,2S,3S,4R,5S)-3-Ethynyltricyclo[3.2.1.0^2,4]Octane
• Synonyms: (1R,2S,3s,4R,5S)-3-ethynyltricyclo[3.2.1.02,4]octane
• Molecular Formula: C₁₀H₁₂
• Molecular Weight: 132.20
• CAS Registry Number: 221100-80-7
• SMILES: C#C[C@H]2[C@H]3[C@H]1C[C@H](CC1)[C@@H]23
• InChI: 1S/C10H12/c1-2-8-9-6-3-4-7(5-6)10(8)9/h1,6-10H,3-5H2/t6-,7+,8+,9-,10+
• InChIKey: KVWLVVSTKKGGDK-CBSGAUBZSA-N

Properties

• Density: 1.054g/cm³ (Cal.)
• Boiling point: 169.633°C at 760 mmHg (Cal.)
• Flash point: 43.849°C (Cal.)
• Refractive index: 1.549 (Cal.)