(7aR,9aS)-3,4,5,7,7a,8,9,9a-Octahydropentaleno[1,6-bc]oxocin-6(2H)-one
[CAS# 823792-09-2]

Identification

• Name: (7aR,9aS)-3,4,5,7,7a,8,9,9a-Octahydropentaleno[1,6-bc]oxocin-6(2H)-one
• Synonyms: (7aR,9aS)-2,3,4,5,7a,8,9,9a-octahydropentaleno[1,6-bc]oxocin-6(7H)-one
• Molecular Formula: C₁₂H₁₆O₂
• Molecular Weight: 192.25
• CAS Registry Number: 823792-09-2
• SMILES: C1CCO[C@H]2CC[C@H]3C2=C(C1)C(=O)C3
• InChI: 1S/C12H16O2/c13-10-7-8-4-5-11-12(8)9(10)3-1-2-6-14-11/h8,11H,1-7H2/t8-,11+/m1/s1
• InChIKey: NNDPDMOYWBCQSV-KCJUWKMLSA-N

Properties

• Density: 1.1±0.1g/cm³ (Cal.)
• Boiling point: 345.4±31.0°C at 760 mmHg (Cal.)
• Flash point: 163.6±18.4°C (Cal.)
• Refractive index: 1.54 (Cal.)