1-(3-Methylphenyl)-5-Phenyl-1H-Pyrazole-3-Carboxylic Acid

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Properties Simple | Detailed

Formula C17H14N2O2
IUPAC Name 1-(m-tolyl)-5-phenyl-pyrazole-3-carboxylic acid
Molecular Mass 278.305 g·mol−1
Heat of Formation 22.3 ± 16.7 kJ·mol−1
Dipole Moment 5.35 ± 1.08 D
Volume 331.75 Å 3
Surface Area 299.91 Å 2
HOMO Energy -9.49 ± 0.55 eV
LUMO Energy 2.28 ± eV
Point Group Symmetry C1
Synonyms
  • 1-(3-methylphenyl)-5-phenyl-3-pyrazolecarboxylic acid
  • 1-(3-methylphenyl)-5-phenyl-pyrazole-3-carboxylic acid
  • 1-(3-methylphenyl)-5-phenylpyrazole-3-carboxylic acid
  • oprea1_112599
InChIKey XDKDJRWOHMIRGN-UHFFFAOYSA-N
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