5-Dehydroquinic Acid

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Properties Simple | Detailed

Formula C7H10O6
IUPAC Name (1r,3r,4s)-1,3,4-trihydroxy-5-oxo-cyclohexanecarboxylic acid
Molecular Mass 190.151 g·mol−1
Heat of Formation -1129.4 ± 16.7 kJ·mol−1
Dipole Moment 2.67 ± 1.08 D
Volume 204.0 Å 3
Surface Area 191.4 Å 2
HOMO Energy -10.63 ± 0.55 eV
LUMO Energy 0.02 ± eV
Point Group Symmetry C1
Synonyms
  • (1r,3r,4s)-1,3,4-trihydroxy-5-keto-cyclohexane-1-carboxylic acid
  • (1r,3r,4s)-1,3,4-trihydroxy-5-oxo-1-cyclohexanecarboxylic acid
  • (1r,3r,4s)-1,3,4-trihydroxy-5-oxo-cyclohexane-1-carboxylic acid
  • (1r,3r,4s)-1,3,4-trihydroxy-5-oxocyclohexane-1-carboxylic acid
  • 1,3,4-trihydroxy-5-oxo-cyclohexanecarboxylic acid
  • dqa
  • rel-(1r,3r,4s)-1,3,4-trihydroxy-5-oxocyclohexanecarboxylic acid
InChIKey WVMWZWGZRAXUBK-SYTVJDICSA-N
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