5-Oxa-4,11-diazatetracyclo[5.4.1.0^2,6.0^8,10]dodeca-1,3,6,8,10-pentaene
[CAS# 78480-84-9]

Identification

• Name: 5-Oxa-4,11-diazatetracyclo[5.4.1.0^2,6.0^8,10]dodeca-1,3,6,8,10-pentaene
• Synonyms: 4,7-methanocyclopropa[b]isoxazolo[5,4-e]azepine
• Molecular Formula: C₉H₄N₂O
• Molecular Weight: 156.14
• CAS Registry Number: 78480-84-9
• SMILES: c1c2=C3CC(=c2on1)C4=CC4=N3
• InChI: 1S/C9H4N2O/c1-4-5-2-8(11-7(1)4)6-3-10-12-9(5)6/h1,3H,2H2
• InChIKey: VITPQBPIAXSEAT-UHFFFAOYSA-N

Properties

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