5-Phenyl-1,2-Oxazole-3-Carboxylic Acid

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Properties Simple | Detailed

Formula C10H7NO3
IUPAC Name 5-phenylisoxazole-3-carboxylic acid
Molecular Mass 189.167 g·mol−1
Heat of Formation -151.6 ± 16.7 kJ·mol−1
Dipole Moment 4.84 ± 1.08 D
Volume 210.88 Å 3
Surface Area 209.9 Å 2
HOMO Energy -9.75 ± 0.55 eV
LUMO Energy 1.82 ± eV
Point Group Symmetry Cs
Synonyms
  • 3-isoxazolecarboxylic acid, 5-phenyl-
  • 5-phenyl-3-isoxazolecarboxylic acid
  • 5-phenyl-isoxazole-3-carboxylic acid
  • bas 03395092
InChIKey XJYOBHXWBRKOQO-UHFFFAOYSA-N
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