12-(2,4,5-Trimethyl-3,6-Dioxo-1,4-Cyclohexadien-1-Yl)-2,7-Dodecadiynoic Acid

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Formula C21H24O4
IUPAC Name 12-(2,4,5-trimethyl-3,6-dioxo-cyclohexa-1,4-dien-1-yl)dodeca-2,7-diynoic acid
Molecular Mass 340.413 g·mol−1
Heat of Formation -296.4 ± 16.7 kJ·mol−1
Dipole Moment 3.47 ± 1.08 D
Volume 442.7 Å 3
Surface Area 385.2 Å 2
HOMO Energy -10.17 ± 0.55 eV
LUMO Energy -1.57 ± eV
Point Group Symmetry C1
Synonyms
  • 12-(2,4,5-trimethyl-3,6-dioxo-1-cyclohexa-1,4-dienyl)dodeca-2,7-diynoic acid
  • 12-(3,6-diketo-2,4,5-trimethyl-1-cyclohexa-1,4-dienyl)dodeca-2,7-diynoic acid
  • 2,3,5-trimethyl-6-(11-carboxy-5,10-undecadiynyl)-1,4-benzoquinone
  • 2,7-dodecadiynoic acid, 12-(2,4,5-trimethyl-3,6-dioxo-1,4-cyclohexadien-1-yl)-
  • aa 1777
  • aa-1777
CAS Number(s)
  • 90316-11-3
InChIKey SOXDIYGAYKFKPK-UHFFFAOYSA-N
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