6-(3-Hydroxypropyl)-5-Methyl-2,4(1H,3H)-Pyrimidinedione

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Properties Simple | Detailed

Formula C8H12N2O3
IUPAC Name 6-(3-hydroxypropyl)-5-methyl-pyrimidin-1-ium-5-ide-2,4-dione
Molecular Mass 184.192 g·mol−1
Heat of Formation -587.2 ± 16.7 kJ·mol−1
Dipole Moment 6.30 ± 1.08 D
Volume 218.57 Å 3
Surface Area 212.87 Å 2
HOMO Energy -9.59 ± 0.55 eV
LUMO Energy -0.79 ± eV
Point Group Symmetry C1
Synonyms
  • 6-(3-hydroxypropyl)-5-methyl-uracil
  • 6-hydroxypropylthymine
InChIKey OIEJBPVNLZZLGQ-UHFFFAOYSA-N
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