3-Hydroxy-3,7-Dihydro-6H-Purin-6-One

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Properties Simple | Detailed

Formula C5H4N4O2
IUPAC Name 3-hydroxy-7,8-dihydro-2h-purine-1,2,4,5,8,9-hexaid-6-one
Molecular Mass 152.111 g·mol−1
Heat of Formation 84.2 ± 16.7 kJ·mol−1
Dipole Moment 4.09 ± 1.08 D
Volume 156.02 Å 3
Surface Area 159.55 Å 2
HOMO Energy -9.54 ± 0.55 eV
LUMO Energy 1.85 ± eV
Point Group Symmetry C1
Synonyms
  • 1,7-dihydro-6h-purin-6-one 3-oxide
  • 3-hydroxy-7h-purin-6-one
  • hypoxanthine 3-oxide
CAS Number(s)
  • 19765-65-2
InChIKey RVVZOZMPKROZAR-UHFFFAOYSA-N
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