Barbituric Acid

Molecule SVG Image

Properties Simple | Detailed

Formula C4H4N2O3
IUPAC Name hexahydropyrimidine-2,4,6-trione
Molecular Mass 128.086 g·mol−1
Heat of Formation -549.2 ± 16.7 kJ·mol−1
Dipole Moment 0.88 ± 1.08 D
Volume 131.88 Å 3
Surface Area 140.79 Å 2
HOMO Energy -11.31 ± 0.55 eV
LUMO Energy -0.60 ± eV
Point Group Symmetry C2v
Synonyms
  • 1,2,3,4,5,6-hexahydro-2,4,6-pyrimidinetrione
  • 1,3-diazinane-2,4,6-trione
  • 2,4,6(1h,3h,5h)-pyrimidinetrione
  • 2,4,6-(1h,3h,5h)-pyrimidinetrione
  • 2,4,6-pyrimidinetriol
  • 2,4,6-pyrimidinetrione
  • 2,4,6-trihydroxypyrimidine
  • 2,4,6-trioxohexahydropyrimidine
  • 6-hydroxyuracil
  • ag-670/31547005
  • barbituric acid (van) (8ci)
  • barbitursaeure
  • hydrouracil, 6-hydroxy-
  • malonylharnstoff
  • malonylurea
  • pyrimidine-2,4,6(1h,3h,5h)-trione
  • pyrimidinetriol
  • pyrimidinetrione
  • urea, n,n'-(1,3-dioxo-1,3-propanediyl)-
CAS Number(s)
  • 118738-52-6
  • 1194-23-6
  • 154254-45-2
  • 67-52-7
  • 160336-60-7
  • 16564-27-5
  • 20964-57-2
  • 223674-02-0
  • 32267-40-6
  • 42910-84-9
  • 51159-18-3
  • 53853-41-1
  • 63896-95-7
  • 158217-19-7
  • 117491-80-2
InChIKey HNYOPLTXPVRDBG-UHFFFAOYSA-N
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