N-Hydroxyxanthine

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Properties Simple | Detailed

Formula C5H4N4O3
IUPAC Name 1-hydroxy-7,8-dihydro-3h-purine-4,5,8,9-tetraide-2,6-dione
Molecular Mass 168.110 g·mol−1
Heat of Formation -183.3 ± 16.7 kJ·mol−1
Dipole Moment 4.06 ± 1.08 D
Volume 166.88 Å 3
Surface Area 169.19 Å 2
HOMO Energy -9.63 ± 0.55 eV
LUMO Energy 2.02 ± eV
Point Group Symmetry C1
Synonyms
  • 1-hydroxy-3,7-dihydropurine-2,6-dione
  • 1-hydroxy-7h-xanthine
  • 1-hydroxyxanthine
  • 1h-purine-2,6-dione, 3,7-dihydro-1-hydroxy-
InChIKey PJKPEFPGGBAAJE-UHFFFAOYSA-N
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