3-Methyl-2,6-Dioxo-1,2,3,6-Tetrahydro-4-Pyrimidinecarboxylic Acid

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Properties Simple | Detailed

Formula C6H6N2O4++
IUPAC Name 3-methyl-2,6-dioxo-pyrimidine-4-carboxylic acid
Molecular Mass 170.123 g·mol−1
Heat of Formation -647.7 ± 16.7 kJ·mol−1
Dipole Moment 4.38 ± 1.08 D
Volume 179.56 Å 3
Surface Area 179.31 Å 2
HOMO Energy -10.04 ± 0.55 eV
LUMO Energy -1.12 ± eV
Point Group Symmetry C1
Synonyms
  • 1-(methyl)orotic acid
  • 1-methylorotic acid
  • 2,6-diketo-3-methyl-pyrimidine-4-carboxylic acid
  • 3-methyl-2,6-dioxo-4-pyrimidinecarboxylic acid
  • 3-methyl-2,6-dioxopyrimidine-4-carboxylic acid
  • 4-pyrimidinecarboxylic acid, 1,2,3,6-tetrahydro-1-methyl-2,6-dioxo-
  • orotic acid, 1-methyl-
CAS Number(s)
  • 705-36-2
InChIKey HRHMKAOOSCBQKD-UHFFFAOYSA-N
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