3-(5-Methyl-2,6-Dioxo-3,6-Dihydro-1(2H)-Pyrimidinyl)Propanoic Acid

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Properties Simple | Detailed

Formula C8H10N2O4++
IUPAC Name 3-(5-methyl-2,6-dioxo-pyrimidin-1-yl)propanoic acid
Molecular Mass 198.176 g·mol−1
Heat of Formation -742.1 ± 16.7 kJ·mol−1
Dipole Moment 5.28 ± 1.08 D
Volume 223.67 Å 3
Surface Area 216.35 Å 2
HOMO Energy -9.75 ± 0.55 eV
LUMO Energy -0.63 ± eV
Point Group Symmetry C1
Synonyms
  • 1(2h)-pyrimidinepropanoic acid, 3,6-dihydro-5-methyl-2,6-dioxo-
  • 3-(2,6-diketo-5-methyl-3h-pyrimidin-1-yl)propionic acid
  • 3-(2-carboxyethyl)thymine
  • 3-(5-methyl-2,6-dioxo-3h-pyrimidin-1-yl)propanoic acid
CAS Number(s)
  • 74423-09-9
InChIKey FCQZARGENYSGQL-UHFFFAOYSA-N
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