7,8-Dihydro-8-Oxoguanine

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Properties Simple | Detailed

Formula C5H5N5O2
IUPAC Name 2-amino-7,9-dihydro-3h-purine-6,8-dione
Molecular Mass 167.125 g·mol−1
Heat of Formation -116.0 ± 16.7 kJ·mol−1
Dipole Moment 7.74 ± 1.08 D
Volume 169.53 Å 3
Surface Area 173.83 Å 2
HOMO Energy -8.93 ± 0.55 eV
LUMO Energy 2.47 ± eV
Point Group Symmetry C1
Synonyms
  • 1h-purine-6,8-dione, 2-amino-7,9-dihydro-
  • 2-amino-6,8-dihydroxypurine
  • 2-amino-7,9-dihydro-3h-purine-6,8-dione
  • 2-amino-7,9-dihydro-3h-purine-6,8-quinone
  • 2-aminopurine-6,8-diol
  • 8-hydroxyguanine
CAS Number(s)
  • 5614-64-2
InChIKey CLGFIVUFZRGQRP-UHFFFAOYSA-N
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