2,4-Diazabicyclo[4.2.0]Octa-1(6),2-Dien-5-One
[CAS# 408321-73-3]

Identification

• Name: 2,4-Diazabicyclo[4.2.0]Octa-1(6),2-Dien-5-One
• Molecular Formula: C₆H₆N₂O
• Molecular Weight: 122.12
• CAS Registry Number: 408321-73-3
• SMILES: c1[nH]c2c(c(=O)n1)CC2
• InChI: 1S/C6H6N2O/c9-6-4-1-2-5(4)7-3-8-6/h3H,1-2H2,(H,7,8,9)
• InChIKey: LCBMMFYQABQMRH-UHFFFAOYSA-N

Properties

• Density: 1.555g/cm³ (Cal.)
• Boiling point: 257.987°C at 760 mmHg (Cal.)
• Flash point: 109.827°C (Cal.)
• Refractive index: 1.752 (Cal.)