3,4-Dimethylpyrano[2,3-C]Pyrazol-6(2H)-One

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Properties Simple | Detailed

Formula C8H8N2O2
IUPAC Name 3,4-dimethyl-5h-pyrano[2,3-c]pyrazol-2-ium-5-id-6-one
Molecular Mass 164.161 g·mol−1
Heat of Formation -110.2 ± 16.7 kJ·mol−1
Dipole Moment 8.96 ± 1.08 D
Volume 186.88 Å 3
Surface Area 184.61 Å 2
HOMO Energy -9.48 ± 0.55 eV
LUMO Energy -0.83 ± eV
Point Group Symmetry C1
Synonyms
  • 3,4-dimethyl-1h-pyrano[2,3-c]pyrazol-6-one
  • 3,4-dimethyl-2h-pyrano[6,5-c]pyrazol-6-one
  • 3,4-dimethylpyrano(3,2-c)pyrazol-6-one
  • bas 00070773
  • pyrano(2,3-c)pyrazol-6(1h)-one, 3,4-dimethyl-
  • xc 386
  • xc-386
CAS Number(s)
  • 5203-98-5
InChIKey UDBAEUZEHHETME-UHFFFAOYSA-N
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