4-Hydroxy-4-[3-(4-Hydroxyphenyl)-3-Oxopropyl]-3,5-Dimethoxy-2,5-Cyclohexadien-1-One

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Properties Simple | Detailed

Formula C17H18O6
IUPAC Name 4-hydroxy-4-[3-(4-hydroxyphenyl)-3-oxo-propyl]-3,5-dimethoxy-cyclohexa-2,5-dien-1-one
Molecular Mass 318.321 g·mol−1
Heat of Formation -818.3 ± 16.7 kJ·mol−1
Dipole Moment 1.35 ± 1.08 D
Volume 372.99 Å 3
Surface Area 330.25 Å 2
HOMO Energy -9.61 ± 0.55 eV
LUMO Energy -0.64 ± eV
Point Group Symmetry C1
Synonyms
  • 4-hydroxy-4-[3-(4-hydroxyphenyl)-3-keto-propyl]-3,5-dimethoxy-cyclohexa-2,5-dien-1-one
  • 4-hydroxy-4-[3-(4-hydroxyphenyl)-3-oxopropyl]-3,5-dimethoxy-1-cyclohexa-2,5-dienone
  • 4-hydroxy-4-[3-(4-hydroxyphenyl)-3-oxopropyl]-3,5-dimethoxycyclohexa-2,5-dien-1-one
InChIKey WHNYFVUMAYSMKK-UHFFFAOYSA-N
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