5H-Pyrrolo[3,2-D]Pyrimidin-4-Ol

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Formula C6H5N3O
IUPAC Name 3,5,6,7-tetrahydro-2h-pyrrolo[3,2-d]pyrimidine-1,2,4a,6,7,7a-hexaid-4-one
Molecular Mass 135.123 g·mol−1
Heat of Formation 60.5 ± 16.7 kJ·mol−1
Dipole Moment 6.19 ± 1.08 D
Volume 147.5 Å 3
Surface Area 152.67 Å 2
HOMO Energy -9.04 ± 0.55 eV
LUMO Energy -0.64 ± eV
Point Group Symmetry Cs
Synonyms
  • 3,5-dihydro-4h-pyrrolo[3,2-d]pyrimidin-4-one
  • 3,5-dihydropyrrolo(3,2-d)pyrimidin-4-one
  • 9-deazahypoxanthine
  • 9hx
InChIKey UWMXUDUWVFWJPX-UHFFFAOYSA-N
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