Cas no 1300-47-6 (Benzenesulfonic acid,hydroxy-, lithium salt (1:1))

Benzenesulfonic acid,hydroxy-, lithium salt (1:1) structure
1300-47-6 structure
Product Name:Benzenesulfonic acid,hydroxy-, lithium salt (1:1)
CAS No:1300-47-6
MF:C6H5LiO4S
MW:180.10750079155
CID:191302
PubChem ID:23673631
Update Time:2025-04-19

Benzenesulfonic acid,hydroxy-, lithium salt (1:1) Chemical and Physical Properties

Names and Identifiers

    • Benzenesulfonic acid,hydroxy-, lithium salt (1:1)
    • lithium hydroxybenzenesulphonate
    • lithium,2-hydroxybenzenesulfonate
    • Benzenesulfonic acid, hydroxy-, monolithium salt
    • Benzenesulfonic acid, hydroxy-, lithium salt (1:1)
    • 1300-47-6
    • NS00081266
    • lithium;2-hydroxybenzenesulfonate
    • EINECS 215-086-7
    • Lithium hydroxybenzenesulfonate
    • SCHEMBL11526541
    • Inchi: 1S/C6H6O4S.Li/c7-5-3-1-2-4-6(5)11(8,9)10;/h1-4,7H,(H,8,9,10);/q;+1/p-1
    • InChI Key: PCDGNXMXHOIMEH-UHFFFAOYSA-M
    • SMILES: S(C1C=CC=CC=1O)(=O)(=O)[O-].[Li+]

Computed Properties

  • Exact Mass: 179.00597
  • Monoisotopic Mass: 180.00685824g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 1
  • Complexity: 220
  • Covalently-Bonded Unit Count: 2
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 85.8?2

Experimental Properties

  • PSA: 77.43
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