3-Oxa-4,11-diazatetracyclo[5.4.1.0^2,6.0^8,10]dodeca-1,4,6,8,10-pentaene
[CAS# 78480-38-3]

Identification

• Name: 3-Oxa-4,11-diazatetracyclo[5.4.1.0^2,6.0^8,10]dodeca-1,4,6,8,10-pentaene
• Synonyms: 4,7-methanocyclopropa[b]isoxazolo[4,5-e]azepine
• Molecular Formula: C₉H₄N₂O
• Molecular Weight: 156.14
• CAS Registry Number: 78480-38-3
• SMILES: c1c2=C3CC(=c2on1)N=C4C3=C4
• InChI: 1S/C9H4N2O/c1-4-5-2-7(5)11-8(1)9-6(4)3-10-12-9/h2-3H,1H2
• InChIKey: LYABESVYCXENHW-UHFFFAOYSA-N

Properties

• Density: 1.971g/cm³ (Cal.)
• Boiling point: 330.644°C at 760 mmHg (Cal.)
• Flash point: 125.639°C (Cal.)