1-Methyl-5-Phenyl-1H-Pyrazole-4-Carboxylic Acid

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Properties Simple | Detailed

Formula C11H10N2O2
IUPAC Name 1-methyl-5-phenyl-3h-pyrazol-1-ium-3-ylium-4-carboxylic acid
Molecular Mass 202.209 g·mol−1
Heat of Formation -92.5 ± 16.7 kJ·mol−1
Dipole Moment 3.51 ± 1.08 D
Volume 237.03 Å 3
Surface Area 223.77 Å 2
HOMO Energy -9.62 ± 0.55 eV
LUMO Energy 2.38 ± eV
Point Group Symmetry C1
Synonyms
  • 1-methyl-5-phenyl-4-pyrazolecarboxylic acid
  • 1-methyl-5-phenyl-pyrazole-4-carboxylic acid
  • 1-methyl-5-phenylpyrazole-4-carboxylic acid
  • cc 28101
  • sdccgmls-0066070.p001
InChIKey MXGOKNNGBUOAGF-UHFFFAOYSA-N
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