(1S,2S,3R,7R,8S)-Tricyclo[6.3.1.0^2,7]dodecane-1,3-diol
[CAS# 716380-77-7]

Identification

• Name: (1S,2S,3R,7R,8S)-Tricyclo[6.3.1.0^2,7]dodecane-1,3-diol
• Synonyms: (1R,4aR,5S,9S,9aS)-decahydro-1H-5,9-methanobenzo[7]annulene-1,9-diol
• Molecular Formula: C₁₂H₂₀O₂
• Molecular Weight: 196.29
• CAS Registry Number: 716380-77-7
• SMILES: C1C[C@@H]2[C@H]3CCC[C@](C3)([C@@H]2[C@@H](C1)O)O
• InChI: 1S/C12H20O2/c13-10-5-1-4-9-8-3-2-6-12(14,7-8)11(9)10/h8-11,13-14H,1-7H2/t8-,9+,10+,11-,12-/m0/s1
• InChIKey: QSJKCGFSLLVKHY-KNZXXDILSA-N

Properties

• Density: 1.2±0.1g/cm³ (Cal.)
• Boiling point: 340.4±10.0°C at 760 mmHg (Cal.)
• Flash point: 163.8±13.6°C (Cal.)
• Refractive index: 1.581 (Cal.)