(3E)-3-(1,2-Dihydro-3H-Pyrazol-3-Ylidene)-6-Methyl-2H-Pyran-2,4(3H)-Dione

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Properties Simple | Detailed

Formula C9H8N2O3
IUPAC Name (3e)-6-methyl-3-pyrazole-1,2-diium-3-ylidene-pyran-2,4-dione
Molecular Mass 192.171 g·mol−1
Heat of Formation -250.5 ± 16.7 kJ·mol−1
Dipole Moment 3.97 ± 1.08 D
Volume 208.15 Å 3
Surface Area 204.69 Å 2
HOMO Energy -9.12 ± 0.55 eV
LUMO Energy -1.38 ± eV
Point Group Symmetry C1
Synonyms
  • (3e)-3-(1,2-dihydropyrazol-3-ylidene)-6-methyl-pyran-2,4-dione
  • (3e)-3-(1,2-dihydropyrazol-3-ylidene)-6-methyl-pyran-2,4-quinone
  • (3e)-3-(1,2-dihydropyrazol-3-ylidene)-6-methylpyran-2,4-dione
  • 3-(1,2-dihydropyrazol-3-ylidene)-6-methyl-pyran-2,4-dione
  • 3-(1,2-dihydropyrazol-3-ylidene)-6-methyl-pyran-2,4-quinone
  • 3-(1,2-dihydropyrazol-3-ylidene)-6-methylpyran-2,4-dione
  • rf 01179
InChIKey HRRBYGKCQIWSRO-SOFGYWHQSA-N
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