(6Z)-6-[4-(2,3-Dihydro-1,4-Benzodioxin-6-Yl)-5-Methyl-1,2-Dihydro-3H-Pyrazol-3-Ylidene]-4-Ethyl-3-Hydroxy-2,4-Cyclohexadien-1-One

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Properties Simple | Detailed

Formula C20H20N2O4
IUPAC Name (6z)-6-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methyl-pyrazole-1,2-diium-3-ylidene]-4-ethyl-3-hydroxy-cyclohexa-2,4-dien-1-one
Molecular Mass 352.384 g·mol−1
Heat of Formation -344.2 ± 16.7 kJ·mol−1
Dipole Moment 7.21 ± 1.08 D
Volume 411.74 Å 3
Surface Area 343.12 Å 2
HOMO Energy -7.89 ± 0.55 eV
LUMO Energy -1.10 ± eV
Point Group Symmetry C1
Synonyms
  • (6z)-6-[4-(2,3-dihydro-1,4-benzodioxin-7-yl)-5-methyl-1,2-dihydropyrazol-3-ylidene]-4-ethyl-3-hydroxy-1-cyclohexa-2,4-dienone
  • (6z)-6-[4-(2,3-dihydro-1,4-benzodioxin-7-yl)-5-methyl-1,2-dihydropyrazol-3-ylidene]-4-ethyl-3-hydroxy-cyclohexa-2,4-dien-1-one
  • (6z)-6-[4-(2,3-dihydro-1,4-benzodioxin-7-yl)-5-methyl-1,2-dihydropyrazol-3-ylidene]-4-ethyl-3-hydroxycyclohexa-2,4-dien-1-one
  • 6-[4-(2,3-dihydro-1,4-benzodioxin-7-yl)-5-methyl-1,2-dihydropyrazol-3-ylidene]-4-ethyl-3-hydroxy-1-cyclohexa-2,4-dienone
  • 6-[4-(2,3-dihydro-1,4-benzodioxin-7-yl)-5-methyl-1,2-dihydropyrazol-3-ylidene]-4-ethyl-3-hydroxy-cyclohexa-2,4-dien-1-one
  • 6-[4-(2,3-dihydro-1,4-benzodioxin-7-yl)-5-methyl-1,2-dihydropyrazol-3-ylidene]-4-ethyl-3-hydroxycyclohexa-2,4-dien-1-one
InChIKey BBTMGPQSLSYPHE-ZHZULCJRSA-N
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