(1S,2R,6S,7R)-4-Oxatricyclo[5.2.1.0^2,6]decan-3-one
[CAS# 694502-98-2]

Identification

• Name: (1S,2R,6S,7R)-4-Oxatricyclo[5.2.1.0^2,6]decan-3-one
• Synonyms: (3aS,4R,7S,7aR)-hexahydro-4,7-methanoisobenzofuran-1(3H)-one
• Molecular Formula: C₉H₁₂O₂
• Molecular Weight: 152.19
• CAS Registry Number: 694502-98-2
• SMILES: O=C2OC[C@H]3[C@@H]1CC[C@@H](C1)[C@@H]23
• InChI: 1S/C9H12O2/c10-9-8-6-2-1-5(3-6)7(8)4-11-9/h5-8H,1-4H2/t5-,6+,7+,8-/m1/s1
• InChIKey: DGTBPTXOXUGLAH-VGRMVHKJSA-N

Properties

• Density: 1.198g/cm³ (Cal.)
• Boiling point: 289.506°C at 760 mmHg (Cal.)
• Flash point: 117.041°C (Cal.)
• Refractive index: 1.531 (Cal.)