4-Methoxy-4-Oxo-3,3-Disulfanylbutanoic Acid

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Properties Simple | Detailed

Formula C5H8O4S2
IUPAC Name 4-methoxy-4-oxo-3,3-bis(sulfanyl)butanoic acid
Molecular Mass 196.245 g·mol−1
Heat of Formation -733.6 ± 16.7 kJ·mol−1
Dipole Moment 2.86 ± 1.08 D
Volume 209.88 Å 3
Surface Area 196.03 Å 2
HOMO Energy -9.32 ± 0.55 eV
LUMO Energy -1.36 ± eV
Point Group Symmetry C1
Synonyms
  • 3,3-dimercapto-4-methoxy-4-oxobutanoic acid
  • 4-keto-3,3-dimercapto-4-methoxy-butyric acid
  • 4-methoxy-4-oxo-3,3-bis-sulfanyl-butanoic acid
  • 4-methoxy-4-oxo-3,3-bis-sulfanylbutanoic acid
InChIKey ANGHMNAEOYYEMM-UHFFFAOYSA-N
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