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

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Properties Simple | Detailed

Formula C7H10O5
IUPAC Name (1r,4r,5r)-1,4,5-trihydroxycyclohex-2-ene-1-carboxylic acid
Molecular Mass 174.151 g·mol−1
Heat of Formation -894.3 ± 16.7 kJ·mol−1
Dipole Moment 3.57 ± 1.08 D
Volume 194.67 Å 3
Surface Area 185.06 Å 2
HOMO Energy -10.53 ± 0.55 eV
LUMO Energy -0.14 ± eV
Point Group Symmetry C1
Synonyms
  • (1r,4r,5r)-1,4,5-trihydroxy-1-cyclohex-2-enecarboxylic acid
  • (1r,4r,5r)-1,4,5-trihydroxycyclohex-2-ene-1-carboxylic acid
  • 2,3 -anhydro-quinic acid
  • 2-cyclohexene-1-carboxylic acid, 1,4,5-trihydroxy-, (1r,4r,5r)-
  • fa1
InChIKey VTEDVYGIJPLVFF-XAHCXIQSSA-N
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Elements H C O