(1R,2S,6R,7S)-3-Oxatricyclo[5.2.1.0^2,6]decan-4-one
[CAS# 693794-26-2]

Identification

• Name: (1R,2S,6R,7S)-3-Oxatricyclo[5.2.1.0^2,6]decan-4-one
• Synonyms: (3aR,4S,7R,7aS)-hexahydro-4,7-methanobenzofuran-2(3H)-one
• Molecular Formula: C₉H₁₂O₂
• Molecular Weight: 152.19
• CAS Registry Number: 693794-26-2
• SMILES: C1C[C@@H]2C[C@H]1[C@@H]3[C@H]2OC(=O)C3
• InChI: 1S/C9H12O2/c10-8-4-7-5-1-2-6(3-5)9(7)11-8/h5-7,9H,1-4H2/t5-,6+,7+,9-/m0/s1
• InChIKey: BIASPHNGXKFEPM-SZACMFPPSA-N

Properties

• Density: 1.198g/cm³ (Cal.)
• Boiling point: 289.507°C at 760 mmHg (Cal.)
• Flash point: 117.041°C (Cal.)
• Refractive index: 1.532 (Cal.)