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7-Methyl-7H-Purine 1-Oxide
[CAS# 255901-79-2]

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Identification
Name 7-Methyl-7H-Purine 1-Oxide
Synonyms 7-methyl-7H-purine 1-oxide
Molecular Structure CAS#: 255901-79-2, 7-Methyl-7H-Purine 1-Oxide
Molecular Formula C6H6N4O
Molecular Weight 150.14
CAS Registry Number 255901-79-2
SMILES Cn1cnc2c1c[n+](cn2)[O-]
InChI 1S/C6H6N4O/c1-9-3-7-6-5(9)2-10(11)4-8-6/h2-4H,1H3
InChIKey KGZZBJBLPOYURJ-UHFFFAOYSA-N
Properties
Density 1.51g/cm3 (Cal.)
Boiling point 398.075°C at 760 mmHg (Cal.)
Flash point 194.549°C (Cal.)
Refractive index 1.732 (Cal.)
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