1-Phenyl-1H-Pyrazole-4-Carboxylic Acid

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Properties Simple | Detailed

Formula C10H8N2O2
IUPAC Name 1-phenyl-3h-pyrazol-1-ium-3-ylium-4-carboxylic acid
Molecular Mass 188.183 g·mol−1
Heat of Formation -55.6 ± 16.7 kJ·mol−1
Dipole Moment 3.14 ± 1.08 D
Volume 213.53 Å 3
Surface Area 213.92 Å 2
HOMO Energy -9.64 ± 0.55 eV
LUMO Energy 2.04 ± eV
Point Group Symmetry C1
Synonyms
  • 1-phenyl-4-pyrazolecarboxylic acid
  • 1-phenylpyrazole-4-carboxylic acid
  • bas 16289592
  • pyrazole-4-carboxylic acid, 1-phenyl-
  • zero/008481
InChIKey ZROILLPDIUNLSE-UHFFFAOYSA-N
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