Methyl 5-Methyl-3-(1,2-Oxazol-5-Yl)-1H-Pyrazole-4-Carboxylate

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Properties Simple | Detailed

Formula C9H9N3O3
IUPAC Name methyl 3-isoxazol-5-yl-5-methyl-pyrazol-1-ium-5-ylium-4-carboxylate
Molecular Mass 207.186 g·mol−1
Heat of Formation -85.0 ± 16.7 kJ·mol−1
Dipole Moment 5.50 ± 1.08 D
Volume 235.31 Å 3
Surface Area 225.52 Å 2
HOMO Energy -9.68 ± 0.55 eV
LUMO Energy 2.36 ± eV
Point Group Symmetry C1
Synonyms
  • 3-(5-isoxazolyl)-5-methyl-1h-pyrazole-4-carboxylic acid methyl ester
  • 3-isoxazol-5-yl-5-methyl-1h-pyrazole-4-carboxylic acid methyl ester
  • methyl 3-methyl-5-(1,2-oxazol-5-yl)-2h-pyrazole-4-carboxylate
InChIKey ATKIWUMRVKGZOO-UHFFFAOYSA-N
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