Oxoguanine

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Properties Simple | Detailed

Formula C6H6N4O2
IUPAC Name 3-methyl-7h-purine-2,6-dione
Molecular Mass 166.137 g·mol−1
Heat of Formation -183.3 ± 16.7 kJ·mol−1
Dipole Moment 3.78 ± 1.08 D
Volume 175.77 Å 3
Surface Area 175.89 Å 2
HOMO Energy -9.31 ± 0.55 eV
LUMO Energy 2.23 ± eV
Point Group Symmetry Cs
Synonyms
  • 1h-purine-2,6-dione, 3,7-dihydro-3-methyl-
  • 1h-purine-2,6-dione, 3,7-dihydro-3-methyl- (9ci)
  • 2,6-dihydroxy-3-methylpurine
  • 3 mx
  • 3,7-dihydro-3-methyl-1h-purine-2,6-dione
  • 3-methyl-3,9-dihydro-purine-2,6-dione
  • 3-methyl-7h-purine-2,6-dione
  • 3-methyl-7h-purine-2,6-quinone
  • 3-methylxanthine
  • oprea1_233226
  • oprea1_288071
  • xanthine, 3-methyl-
  • zero/005108
CAS Number(s)
  • 1076-22-8
InChIKey GMSNIKWWOQHZGF-UHFFFAOYSA-N
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