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

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Properties Simple | Detailed

Formula C16H17N2O3+
IUPAC Name 2-[(4-methoxyphenyl)methyl]-3,4-dimethyl-5h-pyrano[2,3-c]pyrazol-2-ium-5-id-6-one
Molecular Mass 285.318 g·mol−1
Heat of Formation -177.2 ± 16.7 kJ·mol−1
Dipole Moment 8.35 ± 1.08 D
Volume 334.94 Å 3
Surface Area 302.6 Å 2
HOMO Energy -9.12 ± 0.55 eV
LUMO Energy -0.61 ± eV
Point Group Symmetry C1
Synonyms
  • 2-(4'-methoxyphenylmethyl)-3,4-dimethylpyrano(2,3-c)pyrazol-6(2h)-one
  • 2-(4-methoxybenzyl)-3,4-dimethyl-pyrano[6,5-c]pyrazol-6-one
  • 2-[(4-methoxyphenyl)methyl]-3,4-dimethyl-6-pyrano[6,5-c]pyrazolone
  • 2-[(4-methoxyphenyl)methyl]-3,4-dimethyl-pyrano[6,5-c]pyrazol-6-one
  • 2-[(4-methoxyphenyl)methyl]-3,4-dimethylpyrano[6,5-c]pyrazol-6-one
  • ha 22
  • ha-22
  • pyrano(2,3-c)pyrazol-6(2h)-one, 3,4-dimethyl-2-((4-methoxyphenyl)methyl)-
CAS Number(s)
  • 144092-63-7
InChIKey JSKLXDBRUMMHQV-UHFFFAOYSA-N
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