(4S,5R)-4,5-Dihydroxy-3-Oxo-1-Cyclohexene-1-Carboxylic Acid

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Properties Simple | Detailed

Formula C7H8O5
IUPAC Name (4s,5r)-4,5-dihydroxy-3-oxo-cyclohexene-1-carboxylic acid
Molecular Mass 172.135 g·mol−1
Heat of Formation -841.9 ± 16.7 kJ·mol−1
Dipole Moment 1.77 ± 1.08 D
Volume 186.62 Å 3
Surface Area 182.55 Å 2
HOMO Energy -10.77 ± 0.55 eV
LUMO Energy -1.52 ± eV
Point Group Symmetry C1
Synonyms
  • (4s,5r)-4,5-dihydroxy-3-keto-cyclohexene-1-carboxylic acid
  • (4s,5r)-4,5-dihydroxy-3-oxo-1-cyclohexenecarboxylic acid
  • (4s,5r)-4,5-dihydroxy-3-oxo-cyclohexene-1-carboxylic acid
  • (4s,5r)-4,5-dihydroxy-3-oxocyclohex-1-ene-1-carboxylic acid
  • (4s,5r)-4,5-dihydroxy-3-oxocyclohexene-1-carboxylic acid
  • 3-dehydroshikimate
InChIKey SLWWJZMPHJJOPH-PHDIDXHHSA-N
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