3-Hydroxy-4-(Sulfooxy)Benzoic Acid

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Properties Simple | Detailed

Formula C7H6O7S
IUPAC Name 3-hydroxy-4-sulfooxy-benzoic acid
Molecular Mass 234.183 g·mol−1
Heat of Formation -1135.1 ± 16.7 kJ·mol−1
Dipole Moment 4.54 ± 1.08 D
Volume 224.37 Å 3
Surface Area 217.04 Å 2
HOMO Energy -9.65 ± 0.55 eV
LUMO Energy -1.31 ± eV
Point Group Symmetry C1
Synonyms
  • 3-hsob
  • 3-hydroxy-4-sulfooxybenzoic acid
  • 3-hydroxy-4-sulfoxy-benzoic acid
  • 3-hydroxy-sulfonyloxybenzoic acid
  • benzoic acid, 3-hydroxy-4-(sulfooxy)-
CAS Number(s)
  • 76496-12-3
InChIKey NGQYUDIZIPNWJV-UHFFFAOYSA-N
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