4,4'-[(2S,3S)-2,3-Dimethyl-1,4-Butanediyl]Di(1,2-Benzenediol)

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Properties Simple | Detailed

Formula C18H22O4
IUPAC Name 4-[(2s,3s)-4-(3,4-dihydroxyphenyl)-2,3-dimethyl-butyl]benzene-1,2-diol
Molecular Mass 302.365 g·mol−1
Heat of Formation -670.9 ± 16.7 kJ·mol−1
Dipole Moment 1.00 ± 1.08 D
Volume 376.08 Å 3
Surface Area 333.37 Å 2
HOMO Energy -8.75 ± 0.55 eV
LUMO Energy -0.01 ± eV
Point Group Symmetry C1
Synonyms
  • 4-[(2s,3s)-4-(3,4-dihydroxyphenyl)-2,3-dimethyl-butyl]benzene-1,2-diol
  • 4-[(2s,3s)-4-(3,4-dihydroxyphenyl)-2,3-dimethyl-butyl]pyrocatechol
  • 4-[(2s,3s)-4-(3,4-dihydroxyphenyl)-2,3-dimethylbutyl]benzene-1,2-diol
InChIKey HCZKYJDFEPMADG-RYUDHWBXSA-N
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