6-(Methoxyamino)-2(1H)-Pyrimidinone

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Properties Simple | Detailed

Formula C5H7N3O2++
IUPAC Name 6-(methoxyamino)pyrimidin-2-one
Molecular Mass 141.128 g·mol−1
Heat of Formation -102.6 ± 16.7 kJ·mol−1
Dipole Moment 6.99 ± 1.08 D
Volume 159.26 Å 3
Surface Area 166.89 Å 2
HOMO Energy -9.52 ± 0.55 eV
LUMO Energy 2.32 ± eV
Point Group Symmetry C1
Synonyms
  • 2,4(1h,3h)-pyrimidinedione, 4-(o-methyloxime)
  • 4-(methoxyamino)-3h-pyrimidin-2-one
  • n(4)-methoxycytosine
CAS Number(s)
  • 20555-89-9
InChIKey YCTVGBGOFTUCNT-UHFFFAOYSA-N
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