3H-Purin-3-Ol

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Properties Simple | Detailed

Formula C5H4N4O
IUPAC Name 3-hydroxypurine
Molecular Mass 136.111 g·mol−1
Heat of Formation 329.8 ± 16.7 kJ·mol−1
Dipole Moment 3.59 ± 1.08 D
Volume 145.27 Å 3
Surface Area 150.73 Å 2
HOMO Energy -9.95 ± 0.55 eV
LUMO Energy 1.27 ± eV
Point Group Symmetry Cs
Synonyms
  • 1h-purine, 3-oxide
  • 3-hydroxypurine
  • purine 3-oxide
  • purine n-oxide
  • purine-3-oxide
CAS Number(s)
  • 67900-85-0
  • 28199-55-5
InChIKey CYYQSLSRZGVVHE-UHFFFAOYSA-N
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