Diethyl 3,5-Pyrazoledicarboxylate

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Properties Simple | Detailed

Formula C9H12N2O4
IUPAC Name diethyl pyrazol-1-ium-2-ide-3,5-dicarboxylate
Molecular Mass 212.203 g·mol−1
Heat of Formation -544.6 ± 16.7 kJ·mol−1
Dipole Moment 4.66 ± 1.08 D
Volume 247.72 Å 3
Surface Area 248.02 Å 2
HOMO Energy -10.68 ± 0.55 eV
LUMO Energy -1.04 ± eV
Point Group Symmetry Cs
Synonyms
  • 1h-pyrazole-3,5-dicarboxylic acid diethyl ester
  • 3,5-diethoxycarbonylpyrazole
  • diethyl 1h-pyrazole-3,5-dicarboxylate
CAS Number(s)
  • 37687-24-4
InChIKey MBWXLICVQZUJOW-UHFFFAOYSA-N
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