3-(3-Oxo[1,2,4]Triazolo[4,3-A]Pyridin-2(3H)-Yl)Propanoic Acid

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Properties Simple | Detailed

Formula C9H9N3O3
IUPAC Name 3-(3-oxo-1h-[1,2,4]triazolo[4,3-a]pyridin-4-ium-2-yl)propanoate
Molecular Mass 207.186 g·mol−1
Heat of Formation -246.5 ± 16.7 kJ·mol−1
Dipole Moment 8.04 ± 1.08 D
Volume 227.38 Å 3
Surface Area 215.0 Å 2
HOMO Energy -9.52 ± 0.55 eV
LUMO Energy -0.89 ± eV
Point Group Symmetry C1
Synonyms
  • 1,2,4-triazolo(4,3-a)pyridine-2(3h)-propanoic acid, 3-oxo-
  • 3-(3-keto-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propionic acid
  • 3-oxo-1,2,4-triazolo(4,3-a)pyridine-2(3h)-propanoic acid
  • beta-(3-oxo-s-triazolo)-(4,3a)-pyridin-2-yl-propionic acid
CAS Number(s)
  • 53304-46-4
InChIKey DXVGDKXFBVHCCE-UHFFFAOYSA-N
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