3-(5-Amino-7-Hydroxy-(1,2,3)Triazolo(4,5-D)Pyrimidin-2-Yl)Benzoic Acid

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Properties Simple | Detailed

Formula C11H8N6O3
IUPAC Name 3-(5-amino-7-oxo-3h-triazolo[4,5-d]pyrimidin-2-yl)benzoic acid
Molecular Mass 272.220 g·mol−1
Heat of Formation 32.6 ± 16.7 kJ·mol−1
Dipole Moment 3.30 ± 1.08 D
Volume 282.48 Å 3
Surface Area 272.29 Å 2
HOMO Energy -9.05 ± 0.55 eV
LUMO Energy 1.43 ± eV
Point Group Symmetry C1
Synonyms
  • 3-(5-amino-7-hydroxy-[1,2,3]triazolo[4,5-d]pyrimidin-2-yl)-benzoic acid
  • 3-(5-amino-7-keto-3h-triazolo[5,4-d]pyrimidin-2-yl)benzoic acid
  • 3-(5-amino-7-oxo-3h-[1,2,3]triazolo[5,4-d]pyrimidin-2-yl)benzoic acid
  • 3-(5-amino-7-oxo-3h-triazolo[5,4-d]pyrimidin-2-yl)benzoic acid
InChIKey KNLLRZNGRRRPEW-UHFFFAOYSA-N
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