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

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Properties Simple | Detailed

Formula C7H10O5
IUPAC Name (3s,4s,5r)-3,4,5-trihydroxycyclohexene-1-carboxylic acid
Molecular Mass 174.151 g·mol−1
Heat of Formation -901.7 ± 16.7 kJ·mol−1
Dipole Moment 3.55 ± 1.08 D
Volume 192.0 Å 3
Surface Area 184.02 Å 2
HOMO Energy -10.51 ± 0.55 eV
LUMO Energy -0.83 ± eV
Point Group Symmetry C1
Synonyms
  • (3s,4s,5r)-3,4,5-trihydroxy-1-cyclohexenecarboxylic acid
  • (3s,4s,5r)-3,4,5-trihydroxycyclohexene-1-carboxylic acid
InChIKey JXOHGGNKMLTUBP-KVQBGUIXSA-N
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Elements H C O