(2R,6Z)-2,5-Dihydroxy-6-[(2E,4E)-1-Hydroxy-2,4-Hexadien-1-Ylidene]-2,4-Dimethyl-4-Cyclohexene-1,3-Dione

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Properties Simple | Detailed

Formula C14H16O5
IUPAC Name (2r,6z)-2,5-dihydroxy-6-[(2e,4e)-1-hydroxyhexa-2,4-dienylidene]-2,4-dimethyl-cyclohex-4-ene-1,3-dione
Molecular Mass 264.274 g·mol−1
Heat of Formation -757.1 ± 16.7 kJ·mol−1
Dipole Moment 8.08 ± 1.08 D
Volume 306.41 Å 3
Surface Area 287.95 Å 2
HOMO Energy -8.97 ± 0.55 eV
LUMO Energy -1.35 ± eV
Point Group Symmetry C1
Synonyms
  • (2r,6z)-2,5-dihydroxy-6-[(2e,4e)-1-hydroxyhexa-2,4-dienylidene]-2,4-dimethyl-cyclohex-4-ene-1,3-dione
  • (2r,6z)-2,5-dihydroxy-6-[(2e,4e)-1-hydroxyhexa-2,4-dienylidene]-2,4-dimethyl-cyclohex-4-ene-1,3-quinone
  • (2r,6z)-2,5-dihydroxy-6-[(2e,4e)-1-hydroxyhexa-2,4-dienylidene]-2,4-dimethylcyclohex-4-ene-1,3-dione
InChIKey JSSFRHLBNRCOAQ-QKAXFWGASA-N
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