3,12-Dioxa-4-Azatetracyclo[5.4.1.0^2,6.0^8,11]Dodeca-1(11),2(6),4,7,9-Pentaene
[CAS# 59908-12-2]

Identification

• Name: 3,12-Dioxa-4-Azatetracyclo[5.4.1.0^2,6.0^8,11]Dodeca-1(11),2(6),4,7,9-Pentaene
• Synonyms: 4,7-epoxycyclobuta[4,5]benzo[1,2-d]isoxazole
• Molecular Formula: C₉H₃NO₂
• Molecular Weight: 157.13
• CAS Registry Number: 59908-12-2
• SMILES: C1=CC2=C1C3=C4C=NOC4=C2O3
• InChI: 1S/C9H3NO2/c1-2-5-4(1)7-6-3-10-12-9(6)8(5)11-7/h1-3H
• InChIKey: UKADGJOETIQUNZ-UHFFFAOYSA-N

Properties

• Density: 1.7±0.1g/cm³ (Cal.)
• Boiling point: 292.5±20.0°C at 760 mmHg (Cal.)
• Flash point: 144.0±15.8°C (Cal.)