1-(6-Hydroxy-7-Methyl-3-Oxido-6H-[1,2,5]Oxadiazolo[3,4-e]Indol-8-Yl)Ethanone
[CAS# 159325-85-6]

Identification

• Name: 1-(6-Hydroxy-7-Methyl-3-Oxido-6H-[1,2,5]Oxadiazolo[3,4-e]Indol-8-Yl)Ethanone
• Synonyms: 1-(6-Hydroxy-7-methyl-3-oxy-6H-2-oxa-1,3,6-triaza-as-indacen-8-yl)-ethanone; 8-Acetyl-6-hydroxy-7-methyl-6H-[1,2,5]oxadiazolo[3,4-e]indole 3-oxide
• Molecular Formula: C₁₁H₉N₃O₄
• Molecular Weight: 247.21
• CAS Registry Number: 159325-85-6
• SMILES: CC1=C(C2=C(N1O)C=CC3=[N+](ON=C32)[O-])C(=O)C
• InChI: 1S/C11H9N3O4/c1-5-9(6(2)15)10-7(13(5)16)3-4-8-11(10)12-18-14(8)17/h3-4,16H,1-2H3
• InChIKey: WPISVEXGLGPXSR-UHFFFAOYSA-N

Properties

• Density: 1.7±0.1g/cm³ (Cal.)
• Boiling point: 533.6±60.0°C at 760 mmHg (Cal.)
• Flash point: 276.5±32.9°C (Cal.)
• Refractive index: 1.753 (Cal.)

Safety Data

• Safety Description: Irritant