[(3,6-Dihydroxy-2,4-Dimethoxyphenyl)Sulfanyl]Acetic Acid

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Properties Simple | Detailed

Formula C10H12O6S
IUPAC Name 2-(3,6-dihydroxy-2,4-dimethoxy-phenyl)sulfanylacetic acid
Molecular Mass 260.264 g·mol−1
Heat of Formation -953.6 ± 16.7 kJ·mol−1
Dipole Moment 3.95 ± 1.08 D
Volume 283.83 Å 3
Surface Area 254.66 Å 2
HOMO Energy -8.46 ± 0.55 eV
LUMO Energy -0.61 ± eV
Point Group Symmetry C1
Synonyms
  • 2,6-dimethoxyhydroquinone-3-mercaptoacetic acid
  • 2-(3,6-dihydroxy-2,4-dimethoxy-phenyl)sulfanylethanoic acid
  • 2-(3,6-dihydroxy-2,4-dimethoxyphenyl)sulfanylacetic acid
  • 2-[(3,6-dihydroxy-2,4-dimethoxy-phenyl)thio]acetic acid
  • 2-[(3,6-dihydroxy-2,4-dimethoxyphenyl)thio]acetic acid
  • dmq-ma
CAS Number(s)
  • 133735-47-4
InChIKey ASIQVPPVPSRUQB-UHFFFAOYSA-N
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