4,6-Dioxo-1,3,5-Triazinane-2-Carboxylic Acid

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Properties Simple | Detailed

Formula C4H5N3O4
IUPAC Name 4,6-dioxo-1,3,5-triazinane-2-carboxylic acid
Molecular Mass 159.100 g·mol−1
Heat of Formation -687.2 ± 16.7 kJ·mol−1
Dipole Moment 4.97 ± 1.08 D
Volume 160.07 Å 3
Surface Area 163.09 Å 2
HOMO Energy -10.44 ± 0.55 eV
LUMO Energy -0.33 ± eV
Point Group Symmetry Cs
Synonyms
  • 1,3,5-triazine-2-carboxylic acid, hexahydro-4,6-dioxo-
  • 4,6-diketo-1,3,5-triazinane-2-carboxylic acid
  • 5-aza-5,6-dihydroorotic acid
  • dhox
  • dihydro-5-azaorotic acid
  • hexahydro-4,6-dioxo-1,3,5-triazine-2-carboxylic acid
  • oxc
CAS Number(s)
  • 499-09-2
InChIKey IRFZLMWJJPULRF-UHFFFAOYSA-N
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