4-Hydroxy-6-(Hydroxymethyl)-3,5-Dimethyl-1,2-Benzoquinone

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Properties Simple | Detailed

Formula C9H10O4
IUPAC Name 5-hydroxy-3-(hydroxymethyl)-4,6-dimethyl-1,2-benzoquinone
Molecular Mass 182.173 g·mol−1
Heat of Formation -567.0 ± 16.7 kJ·mol−1
Dipole Moment 4.99 ± 1.08 D
Volume 207.27 Å 3
Surface Area 199.49 Å 2
HOMO Energy -9.58 ± 0.55 eV
LUMO Energy 1.29 ± eV
Point Group Symmetry C1
Synonyms
  • 2,5-cyclohexadiene-1,4-dione, 2-hydroxy-6-(hydroxymethyl)-3,5-dimethyl-
  • 2,6-dimethyl-3-hydroxymethyl-5-hydroxy-1,4-benzoquinone
  • p-benzoquinone, 2-hydroxy-6-(hydroxymethyl)-3,5-dimethyl-
  • shanorellin
CAS Number(s)
  • 22631-97-6
InChIKey NIZXGIRUXUPPCW-UHFFFAOYSA-N
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