(1R,2S,5S)-4-Oxo-3-azabicyclo[3.1.0]hexane-2-carbonitrile
[CAS# 72029-79-9]

Identification

• Name: (1R,2S,5S)-4-Oxo-3-azabicyclo[3.1.0]hexane-2-carbonitrile
• Synonyms: (1R,2S,5S)-4-oxo-3-azabicyclo[3.1.0]hexane-2-carbonitrile
• Molecular Formula: C₆H₆N₂O
• Molecular Weight: 122.12
• CAS Registry Number: 72029-79-9
• SMILES: C1[C@@H]2[C@H]1C(=O)N[C@@H]2C#N
• InChI: 1S/C6H6N2O/c7-2-5-3-1-4(3)6(9)8-5/h3-5H,1H2,(H,8,9)/t3-,4+,5-/m1/s1
• InChIKey: MPCUXJQXCFGFLG-MROZADKFSA-N

Properties

• Density: 1.342g/cm³ (Cal.)
• Boiling point: 439.908°C at 760 mmHg (Cal.)
• Flash point: 219.849°C (Cal.)