5-(Hydroperoxymethyl)-2,4(1H,3H)-Pyrimidinedione

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Properties Simple | Detailed

Formula C5H6N2O4
IUPAC Name 5-(hydroperoxymethyl)-1h-pyrimidine-2,4-dione
Molecular Mass 158.112 g·mol−1
Heat of Formation -407.2 ± 16.7 kJ·mol−1
Dipole Moment 5.12 ± 1.08 D
Volume 166.27 Å 3
Surface Area 171.3 Å 2
HOMO Energy -9.97 ± 0.55 eV
LUMO Energy -0.92 ± eV
Point Group Symmetry C1
Synonyms
  • 2,4(1h,3h)-pyrimidinedione, 5-(hydroperoxymethyl)-
  • 5-(hydroperoxymethyl)-1h-pyrimidine-2,4-dione
  • 5-(hydroperoxymethyl)uracil
  • 5-hydroperoxymethyluracil
  • alpha-tooh
  • uracil, 5-hydroperoxymethyl-
CAS Number(s)
  • 33499-50-2
InChIKey MXVRXIGBAGNOJF-UHFFFAOYSA-N
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