4,6-Dioxo-1,4,5,6-Tetrahydro-1,3,5-Triazine-2-Carboxylic Acid

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Properties Simple | Detailed

Formula C4H3N3O4++
IUPAC Name 4,6-dioxo-1h-1,3,5-triazine-2-carboxylic acid
Molecular Mass 157.084 g·mol−1
Heat of Formation -593.7 ± 16.7 kJ·mol−1
Dipole Moment 3.90 ± 1.08 D
Volume 154.06 Å 3
Surface Area 162.66 Å 2
HOMO Energy -11.30 ± 0.55 eV
LUMO Energy -1.43 ± eV
Point Group Symmetry C1
Synonyms
  • 1,3,5-triazine-2-carboxylic acid, 1,4,5,6-tetrahydro-4,6-dioxo-
  • 1,4,5,6-tetrahydro-4,6-dioxo-1,3,5-triazine-2-carboxylic acid
  • 4,6-diketo-1h-s-triazine-2-carboxylic acid
  • 5-azaorotic acid
  • oxonic acid
CAS Number(s)
  • 499-10-5
  • 937-13-3
InChIKey RYYCJUAHISIHTL-UHFFFAOYSA-N
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