Cas no 79852-04-3 (Benzenesulfonic acid, 2-hydroxy-5-methoxy-)

Benzenesulfonic acid, 2-hydroxy-5-methoxy- structure
79852-04-3 structure
Product Name:Benzenesulfonic acid, 2-hydroxy-5-methoxy-
CAS No:79852-04-3
MF:C7H8O5S
MW:204.200421333313
CID:531886
PubChem ID:14199590
Update Time:2025-04-19

Benzenesulfonic acid, 2-hydroxy-5-methoxy- Chemical and Physical Properties

Names and Identifiers

    • Benzenesulfonic acid, 2-hydroxy-5-methoxy-
    • 2-hydroxy-5-methoxyBenzenesulfonic acid
    • SCHEMBL2336447
    • FT-0732890
    • DTXSID60557287
    • 2-Hydroxy-5-methoxybenzene-1-sulfonic acid
    • 79852-04-3
    • Inchi: 1S/C7H8O5S/c1-12-5-2-3-6(8)7(4-5)13(9,10)11/h2-4,8H,1H3,(H,9,10,11)
    • InChI Key: CDQTVTSDYVLCHM-UHFFFAOYSA-N
    • SMILES: S(C1C(=CC=C(C=1)OC)O)(=O)(=O)O

Computed Properties

  • Exact Mass: 204.00924453g/mol
  • Monoisotopic Mass: 204.00924453g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 5
  • Heavy Atom Count: 13
  • Rotatable Bond Count: 2
  • Complexity: 255
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 0.8
  • Topological Polar Surface Area: 92.2?2
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