1-Isocyanato-3-Oxabicyclo[3.1.1]Heptan-2-One
[CAS# 116823-33-7]

Identification

• Name: 1-Isocyanato-3-Oxabicyclo[3.1.1]Heptan-2-One
• Synonyms: 1-isocyanato-3-oxabicyclo[3.1.1]heptan-2-one
• Molecular Formula: C₇H₇NO₃
• Molecular Weight: 153.14
• CAS Registry Number: 116823-33-7
• SMILES: C1C2CC1(C(=O)OC2)N=C=O
• InChI: 1S/C7H7NO3/c9-4-8-7-1-5(2-7)3-11-6(7)10/h5H,1-3H2
• InChIKey: JBRBTSUQHLRXIU-UHFFFAOYSA-N

Properties

• Density: 1.543g/cm³ (Cal.)
• Boiling point: 306.037°C at 760 mmHg (Cal.)
• Flash point: 169.821°C (Cal.)
• Refractive index: 1.654 (Cal.)