3-Hydroxy-5-Methoxy-4,6,6-Trimethyl-2-[(2E)-3-Phenyl-2-Propenoyl]-2,4-Cyclohexadien-1-One

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Properties Simple | Detailed

Formula C19H20O4
IUPAC Name 3-hydroxy-5-methoxy-4,6,6-trimethyl-2-[(e)-3-phenylprop-2-enoyl]cyclohexa-2,4-dien-1-one
Molecular Mass 312.360 g·mol−1
Heat of Formation -454.8 ± 16.7 kJ·mol−1
Dipole Moment 8.26 ± 1.08 D
Volume 385.69 Å 3
Surface Area 330.16 Å 2
HOMO Energy -9.13 ± 0.55 eV
LUMO Energy -0.98 ± eV
Point Group Symmetry C1
Synonyms
  • 4-cyclohexene-1,3-dione, 2-[(2e)-1-hydroxy-3-phenyl-2-propenylidene]-5-methoxy-4,6,6-trimethyl-, (2e)-
  • desmosdumotin c
InChIKey ATPDRDNAXQXSQJ-ZHACJKMWSA-N
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Elements H C O