5,5A,7,8-Tetrahydro-4H-[1,2,5]Oxadiazolo[3,4-e]Indole-6,8A-Diol 3-Oxide
[CAS# 331853-25-9]

Identification

• Name: 5,5A,7,8-Tetrahydro-4H-[1,2,5]Oxadiazolo[3,4-e]Indole-6,8A-Diol 3-Oxide
• Synonyms: 3-Oxy-5,5a,7,8-tetrahydro-4H-2-oxa-1,3,6-triaza-as-indacene-6,8a-diol; 5,5a,7,8-Tetrahydro-4H-[1,2,5]oxadiazolo[3,4-E]indole-6,8a-diol 3-oxide #
• Molecular Formula: C₈H₁₁N₃O₄
• Molecular Weight: 213.19
• CAS Registry Number: 331853-25-9
• SMILES: C1CC2=[N+](ON=C2C3(C1N(CC3)O)O)[O-]
• InChI: 1S/C8H11N3O4/c12-8-3-4-10(13)6(8)2-1-5-7(8)9-15-11(5)14/h6,12-13H,1-4H2
• InChIKey: NHRUBYOIJKSANM-UHFFFAOYSA-N

Properties

• Density: 2.0±0.1g/cm³ (Cal.)
• Boiling point: 467.9±55.0°C at 760 mmHg (Cal.)
• Flash point: 236.8±31.5°C (Cal.)
• Refractive index: 1.848 (Cal.)