8-Oxoguanine

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Properties Simple | Detailed

Formula C5H3N5O2
IUPAC Name 2-amino-3h-purine-1,7,9-triium-6,8-dione
Molecular Mass 165.110 g·mol−1
Heat of Formation 128.7 ± 16.7 kJ·mol−1
Dipole Moment 8.81 ± 1.08 D
Volume 165.26 Å 3
Surface Area 170.08 Å 2
HOMO Energy -10.74 ± 0.55 eV
LUMO Energy -2.37 ± eV
Point Group Symmetry Cs
Synonyms
  • 1h-purine-6,8-dione, 2-amino-
  • 2-amino-1h-purine-6,8-dione
  • 2-amino-3h-purine-6,8-dione
  • 2-amino-3h-purine-6,8-quinone
  • 8-oxyguanine
  • oxg
CAS Number(s)
  • 82014-86-6
InChIKey UBKVUFQGVWHZIR-UHFFFAOYSA-N
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