3-(2,4-Dimethyl-3,6-Dioxo-1,4-Cyclohexadien-1-Yl)-3-Methylbutanoic Acid

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Properties Simple | Detailed

Formula C13H16O4
IUPAC Name 3-(2,4-dimethyl-3,6-dioxo-cyclohexa-1,4-dien-1-yl)-3-methyl-butanoic acid
Molecular Mass 236.264 g·mol−1
Heat of Formation -645.2 ± 16.7 kJ·mol−1
Dipole Moment 2.69 ± 1.08 D
Volume 287.32 Å 3
Surface Area 252.1 Å 2
HOMO Energy -10.20 ± 0.55 eV
LUMO Energy -1.75 ± eV
Point Group Symmetry C1
Synonyms
  • 1,4-cyclohexadiene-1-propanoic acid, beta,beta,2,4-tetramethyl-3,6-dioxo-
  • 3-(2,4-dimethyl-3,6-dioxo-1-cyclohexa-1,4-dienyl)-3-methyl-butanoic acid
  • 3-(2,4-dimethyl-3,6-dioxo-1-cyclohexa-1,4-dienyl)-3-methylbutanoic acid
  • 3-(3',6'-dioxo-2',4'-dimethylcyclohexa-1',4'-diene)-3,3-dimethylpropionic acid
  • 3-(3,6-diketo-2,4-dimethyl-1-cyclohexa-1,4-dienyl)-3-methyl-butyric acid
  • 3-ddcdp
CAS Number(s)
  • 133544-77-1
InChIKey JHOMCQALRKZDFZ-UHFFFAOYSA-N
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