(1S,2S)-3,5-Cyclohexadiene-1,2-Diol

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Properties Simple | Detailed

Formula C6H8O2
IUPAC Name (1s,2s)-cyclohexa-3,5-diene-1,2-diol
Molecular Mass 112.127 g·mol−1
Heat of Formation -263.9 ± 16.7 kJ·mol−1
Dipole Moment 3.10 ± 1.08 D
Volume 138.9 Å 3
Surface Area 142.37 Å 2
HOMO Energy -9.86 ± 0.55 eV
LUMO Energy -0.52 ± eV
Point Group Symmetry C1
Synonyms
  • (+)-(1s,2s)-1,2-dihydroxy-1,2-dihydrobenzene
  • (+)-1-alpha,2-beta-dihydroxy-1,2-dihydrobenzene
  • (+)-1alpha,2beta-dihydroxy-1,2-dihydrobenzene
  • (1s,2s)-cyclohexa-3,5-diene-1,2-diol
  • 3,5-cyclohexadiene-1,2-diol, (1s-trans)-
CAS Number(s)
  • 103364-68-7
InChIKey YDRSQRPHLBEPTP-WDSKDSINSA-N
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