(1S,6R)-1,6-Dihydroxy-2,4-Cyclohexadiene-1-Carboxylic Acid

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Properties Simple | Detailed

Formula C7H8O4
IUPAC Name (1s,6r)-1,6-dihydroxycyclohexa-2,4-diene-1-carboxylic acid
Molecular Mass 156.136 g·mol−1
Heat of Formation -619.3 ± 16.7 kJ·mol−1
Dipole Moment 2.40 ± 1.08 D
Volume 174.27 Å 3
Surface Area 170.42 Å 2
HOMO Energy -9.82 ± 0.55 eV
LUMO Energy 2.47 ± eV
Point Group Symmetry C1
Synonyms
  • (1s,2r)-1,2-dihydroxycyclohexa-3,5-diene-1-carboxylic acid
  • (1s,6r)-1,6-dihydroxy-1-cyclohexa-2,4-dienecarboxylic acid
  • (1s,6r)-1,6-dihydroxycyclohexa-2,4-diene-1-carboxylic acid
  • (1s,6r)-1,6-dihydroxycyclohexa-2,4-dienecarboxylic acid
  • 2,4-cyclohexadiene-1-carboxylic acid, 1,6-dihydroxy-, cis-(-)-
  • cis-(-)-1,6-dihydroxy-2,4-cyclohexadiene-1-carboxylic acid
  • cyclohexadiene-1,2-diol-1-carboxylic acid
CAS Number(s)
  • 32359-20-9
InChIKey PUCYIVFXTPWJDD-VDTYLAMSSA-N
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