2-(3-Hydroxy-2-(((3-Hydroxy-2-Pyridinyl)Carbonyl)Amino)Phenyl)-4-Benzoxazolecarboxylic Acid

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Properties Simple | Detailed

Formula C20H13N3O6
IUPAC Name 2-[3-hydroxy-2-[(3-hydroxypyridine-2-carbonyl)amino]phenyl]-1,3-benzoxazole-4-carboxylic acid
Molecular Mass 391.334 g·mol−1
Heat of Formation -577.7 ± 16.7 kJ·mol−1
Dipole Moment 6.22 ± 1.08 D
Volume 422.47 Å 3
Surface Area 358.57 Å 2
HOMO Energy -8.73 ± 0.55 eV
LUMO Energy -1.53 ± eV
Point Group Symmetry C1
Synonyms
  • 2-[3-hydroxy-2-[(3-hydroxypyridin-2-yl)carbonylamino]phenyl]-1,3-benzoxazole-4-carboxylic acid
  • 2-[3-hydroxy-2-[[(3-hydroxy-2-pyridyl)-oxomethyl]amino]phenyl]-1,3-benzoxazole-4-carboxylic acid
  • 4-benzoxazolecarboxylic acid, 2-(3-hydroxy-2-(((3-hydroxy-2-pyridinyl)carbonyl)amino)phenyl)-
  • 4-benzoxazolecarboxylic acid, 2-(3-hydroxy-2-(((3-hydroxy-2-pyridinyl)carbonyl)amino)phenyl)-, (1'alpha)-
  • a 33853
  • antibiotic a 33853
CAS Number(s)
  • 80148-45-4
InChIKey LJVDLJDWXVPUAB-UHFFFAOYSA-N
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