4-Pyrimidinol

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Properties Simple | Detailed

Formula C4H4N2O+
IUPAC Name pyrimidin-4-one
Molecular Mass 96.087 g·mol−1
Heat of Formation -57.7 ± 16.7 kJ·mol−1
Dipole Moment 2.19 ± 1.08 D
Volume 109.06 Å 3
Surface Area 121.34 Å 2
HOMO Energy -9.99 ± 0.55 eV
LUMO Energy -1.23 ± eV
Point Group Symmetry Cs
Synonyms
  • 1h-pyrimidin-4-one
  • 3h-pyrimidin-4-one
  • 4(1h)-pyrimidinone
  • 4(3h)-pyrimidinone
  • 4(3h)-pyrimidone
  • 4(6)-hydroxypyrimidine
  • 4-hydroxypyrimidine
  • 4-oxopyrimidine
  • 4-oxypyrimidine
  • 4-pyrimidinol (van)
  • 4-pyrimidinone
  • 4-pyrimidone
  • 6-hydroxypyrimidine
  • ac-907/30002018
  • deaminoisocytosine
  • pyrimidin-4-ol
  • pyrimidine, 4-hydroxy-
CAS Number(s)
  • 176773-03-8
  • 542-27-8
  • 4562-27-0
InChIKey DNCYBUMDUBHIJZ-UHFFFAOYSA-N
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