6-Methoxy-3H-purine 1-oxide
[CAS# 906723-81-7]

Identification

• Name: 6-Methoxy-3H-purine 1-oxide
• Synonyms: 6-methoxy-9H-purine 1-oxide
• Molecular Formula: C₆H₆N₄O₂
• Molecular Weight: 166.14
• CAS Registry Number: 906723-81-7
• SMILES: COc1c2c(nc[nH]2)nc[n+]1[O-]
• InChI: 1S/C6H6N4O2/c1-12-6-4-5(8-2-7-4)9-3-10(6)11/h2-3H,1H3,(H,7,8,9)
• InChIKey: REOWGEDFNCQIOQ-UHFFFAOYSA-N

Properties

• Density: 1.663g/cm³ (Cal.)
• Boiling point: 571.13°C at 760 mmHg (Cal.)
• Flash point: 299.209°C (Cal.)
• Refractive index: 1.739 (Cal.)