Cas no 25395-08-8 (Benzenesulfonic acid,4-hydroxy-, aluminum salt (3:1))

Benzenesulfonic acid,4-hydroxy-, aluminum salt (3:1) structure
25395-08-8 structure
Product Name:Benzenesulfonic acid,4-hydroxy-, aluminum salt (3:1)
CAS No:25395-08-8
MF:C18H15AlO12S3
MW:546.481041193008
CID:271733
PubChem ID:117471
Update Time:2025-04-19

Benzenesulfonic acid,4-hydroxy-, aluminum salt (3:1) Chemical and Physical Properties

Names and Identifiers

    • Benzenesulfonic acid,4-hydroxy-, aluminum salt (3:1)
    • Aluminium tris(4-hydroxybenzenesulphonate)
    • aluminum tris(4-hydroxybenzenesulfonate)
    • 86Z3773759
    • NS00083805
    • EINECS 246-938-6
    • 25395-08-8
    • Inchi: 1S/3C6H6O4S.Al/c3*7-5-1-3-6(4-2-5)11(8,9)10;/h3*1-4,7H,(H,8,9,10);/q;;;+3/p-3
    • InChI Key: JIXXOUFTHWJZGV-UHFFFAOYSA-K
    • SMILES: S(C1C=CC(=CC=1)O)(=O)(=O)[O-].S(C1C=CC(=CC=1)O)(=O)(=O)[O-].S(C1C=CC(=CC=1)O)(=O)(=O)[O-].[Al+3]

Computed Properties

  • Exact Mass: 545.95405
  • Monoisotopic Mass: 545.954
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 3
  • Hydrogen Bond Acceptor Count: 12
  • Heavy Atom Count: 34
  • Rotatable Bond Count: 0
  • Complexity: 194
  • Covalently-Bonded Unit Count: 4
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 257?2

Experimental Properties

  • PSA: 232.29
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