(3aR,7aS)-7a-Acetylhexahydro-1,3-benzoxazol-2(3H)-one
[CAS# 78174-36-4]

Identification

• Name: (3aR,7aS)-7a-Acetylhexahydro-1,3-benzoxazol-2(3H)-one
• Synonyms: (3aR,7aS)-7a-acetylhexahydrobenzo[d]oxazol-2(3H)-one
• Molecular Formula: C₉H₁₃NO₃
• Molecular Weight: 183.20
• CAS Registry Number: 78174-36-4
• SMILES: CC(=O)[C@]12CCCC[C@H]1NC(=O)O2
• InChI: 1S/C9H13NO3/c1-6(11)9-5-3-2-4-7(9)10-8(12)13-9/h7H,2-5H2,1H3,(H,10,12)/t7-,9-/m1/s1
• InChIKey: LCOLWIZPRPEZNO-VXNVDRBHSA-N

Properties

• Density: 1.219g/cm³ (Cal.)
• Boiling point: 405.097°C at 760 mmHg (Cal.)
• Flash point: 198.796°C (Cal.)