Ethyl 3,5-Dimethyl-1H-Pyrazole-4-Carboxylate

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Properties Simple | Detailed

Formula C8H12N2O2
IUPAC Name ethyl 3,5-dimethylpyrazol-1-ium-3-ylium-4-carboxylate
Molecular Mass 168.193 g·mol−1
Heat of Formation -269.9 ± 16.7 kJ·mol−1
Dipole Moment 3.51 ± 1.08 D
Volume 210.33 Å 3
Surface Area 208.72 Å 2
HOMO Energy -9.80 ± 0.55 eV
LUMO Energy 0.02 ± eV
Point Group Symmetry C1
Synonyms
  • 10x-0839
  • 3,5-dimethyl-1h-pyrazole-4-carboxylic acid ethyl ester
  • 3,5-dimethylpyrazole-4-carboxylic acid ethyl ester
  • 4-pyrazolecarboxylic acid, 3,5-dimethyl-, ethyl ester
  • dee
CAS Number(s)
  • 35691-93-1
InChIKey BCKARVLFIJPHQU-UHFFFAOYSA-N
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