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1-Oxido-9H-Purin-1-Ium
[CAS# 332875-28-2]

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Identification
Name 1-Oxido-9H-Purin-1-Ium
Synonyms 3H-purine 1-oxide; 3H-Purine, 1-oxide
Molecular Structure CAS#: 332875-28-2, 1-Oxido-9H-Purin-1-Ium
Molecular Formula C5H4N4O
Molecular Weight 136.11
CAS Registry Number 332875-28-2
SMILES [O-][n+]1cc2ncnc2nc1
InChI 1S/C5H4N4O/c10-9-1-4-5(8-3-9)7-2-6-4/h1-3H,(H,6,7,8)
InChIKey HCNYQMUPJHKYCI-UHFFFAOYSA-N
Properties
Density 1.744g/cm3 (Cal.)
Boiling point 586.396°C at 760 mmHg (Cal.)
Flash point 308.441°C (Cal.)
Refractive index 1.836 (Cal.)
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