(1S,4S,5R)-3,4,5-Trihydroxy-2-Cyclohexene-1-Carboxylic Acid

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Properties Simple | Detailed

Formula C7H10O5
IUPAC Name (1s,4s,5r)-3,4,5-trihydroxycyclohex-2-ene-1-carboxylic acid
Molecular Mass 174.151 g·mol−1
Heat of Formation -922.0 ± 16.7 kJ·mol−1
Dipole Moment 3.43 ± 1.08 D
Volume 193.07 Å 3
Surface Area 187.91 Å 2
HOMO Energy -9.93 ± 0.55 eV
LUMO Energy 3.23 ± eV
Point Group Symmetry C1
Synonyms
  • (1s,4s,5r)-3,4,5-trihydroxy-1-cyclohex-2-enecarboxylic acid
  • (1s,4s,5r)-3,4,5-trihydroxycyclohex-2-ene-1-carboxylic acid
InChIKey YVYKOQWMJZXRRM-UYFOZJQFSA-N
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