3,5-Dioxa-9-Azatricyclo[5.3.1.0^2,6]Undeca-2(6),7,9-Triene
[CAS# 112950-28-4]

Identification

• Name: 3,5-Dioxa-9-Azatricyclo[5.3.1.0^2,6]Undeca-2(6),7,9-Triene
• Synonyms: 4H-4,8-methano[1,3]dioxolo[4,5-d]azepine
• Molecular Formula: C₈H₇NO₂
• Molecular Weight: 149.15
• CAS Registry Number: 112950-28-4
• SMILES: C1C2C=NC=C1C3=C2OCO3
• InChI: 1S/C8H7NO2/c1-5-2-9-3-6(1)8-7(5)10-4-11-8/h2-3,5H,1,4H2
• InChIKey: LBTHATMLRJDCGV-UHFFFAOYSA-N

Properties

• Density: 1.598g/cm³ (Cal.)
• Boiling point: 375.281°C at 760 mmHg (Cal.)
• Flash point: 146.566°C (Cal.)
• Refractive index: 1.739 (Cal.)