2-(1H-Pyrazol-1-Yl)Benzoic Acid

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Properties Simple | Detailed

Formula C10H8N2O2
IUPAC Name 2-pyrazol-1-ium-2-id-1-ylbenzoic acid
Molecular Mass 188.183 g·mol−1
Heat of Formation -32.9 ± 16.7 kJ·mol−1
Dipole Moment 3.98 ± 1.08 D
Volume 215.84 Å 3
Surface Area 205.8 Å 2
HOMO Energy -9.43 ± 0.55 eV
LUMO Energy -0.92 ± eV
Point Group Symmetry C1
Synonyms
  • 2-(1-pyrazolyl)benzoic acid
  • 2-pyrazol-1-ylbenzoic acid
  • cc 24401
InChIKey MHACZVWKWUMHRR-UHFFFAOYSA-N
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