4-[(4-Hydroxy-3-Sulfophenoxy)Sulfonyl]Benzoic Acid

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Properties Simple | Detailed

Formula C13H10O9S2
IUPAC Name 4-(4-hydroxy-3-sulfo-phenoxy)sulfonylbenzoic acid
Molecular Mass 374.343 g·mol−1
Heat of Formation -1351.4 ± 16.7 kJ·mol−1
Dipole Moment 6.09 ± 1.08 D
Volume 362.33 Å 3
Surface Area 332.19 Å 2
HOMO Energy -9.45 ± 0.55 eV
LUMO Energy -1.75 ± eV
Point Group Symmetry C1
Synonyms
  • 2-hcbsbs
  • 2-hydroxy-5-(4-carboxybenzenesulfonyloxy)benzene sulfonic acid
  • 4-(4-hydroxy-3-sulfophenoxy)sulfonylbenzoic acid
  • benzoic acid, 4-((4-hydroxy-3-sulfophenoxy)sulfonyl)-
CAS Number(s)
  • 83285-81-8
InChIKey PNWCRNBMOFREFL-UHFFFAOYSA-N
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