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    5-Sulfosalicylic Acid

    ACTIVE PHARMA INGREDIENTS

    PharmaCompass
    $ API Ref.Price (USD/KG) : 278Xls

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    2D Structure
    Also known as: 5-sulfosalicylic acid, Sulfosalicylic acid, 97-05-2, 5-sulphosalicylic acid, Salicylsulfonic acid, Benzoic acid, 2-hydroxy-5-sulfo-
    Molecular Formula
    C7H6O6S
    Molecular Weight
    218.19  g/mol
    InChI Key
    YCPXWRQRBFJBPZ-UHFFFAOYSA-N
    FDA UNII
    L8XED79U3U
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    2-hydroxy-5-sulfobenzoic acid
    2.1.2 InChI
    InChI=1S/C7H6O6S/c8-6-2-1-4(14(11,12)13)3-5(6)7(9)10/h1-3,8H,(H,9,10)(H,11,12,13)
    2.1.3 InChI Key
    YCPXWRQRBFJBPZ-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    C1=CC(=C(C=C1S(=O)(=O)O)C(=O)O)O
    2.2 Other Identifiers
    2.2.1 UNII
    L8XED79U3U
    2.3 Synonyms
    2.3.1 MeSH Synonyms

    1. 2-hydroxybenzoic-5-sulfonic Acid

    2. 3-carboxy-4-hydroxybenzenesulfonate

    3. 3-carboxy-4-hydroxybenzenesulfonic Acid

    4. 5-sulfosalicylic Acid

    5. Cesium 5-sulfosalicylate

    6. Phlogosam

    7. Phlogosol

    8. Salicylsulfonic Acid

    9. Sulfosalicylic Acid

    10. Sulfosalicylic Acid, Beryllium Salt (1:1)

    11. Sulfosalicylic Acid, Beryllium Salt (2:1)

    2.3.2 Depositor-Supplied Synonyms

    1. 5-sulfosalicylic Acid

    2. Sulfosalicylic Acid

    3. 97-05-2

    4. 5-sulphosalicylic Acid

    5. Salicylsulfonic Acid

    6. Benzoic Acid, 2-hydroxy-5-sulfo-

    7. Salicylic Acid, Sulfo-

    8. 2-hydroxybenzoic-5-sulfonic Acid

    9. Benzoic Acid, 2-hydroxysulfo-

    10. Sulphosalicylic Acid

    11. Salicylic Acid, 5-sulfo-

    12. 3-carboxy-4-hydroxybenzenesulfonic Acid

    13. Nsc 190565

    14. 5-sulfosalicylate

    15. 5-sulfo-salicylic Acid

    16. L8xed79u3u

    17. Chembl229241

    18. Chebi:68555

    19. Nsc-190565

    20. 2-hydroxy-5-sulfo-benzoic Acid

    21. Wln: Wsqr Dq Cvq

    22. Kalcolor Anodizing Acid

    23. Sulfosalicylic Acid (van)

    24. Salicylsulfonic Acid (van)

    25. Sulphosalicylic Acid (van)

    26. Einecs 202-555-6

    27. Unii-l8xed79u3u

    28. Brn 0650741

    29. Cp 18121

    30. Ai3-18246

    31. Ai3-32582

    32. Sulfo Salicylic Acid

    33. Sulfosalicylic

    34. Salicyl-sulfonic Acid

    35. 5-sulfosalicyclic Acid

    36. 2-hydroxysulfo-benzoate

    37. 2-hydroxysulfo-benzoic Acid

    38. Sulfosalicylic Acid Solution

    39. Schembl34766

    40. 2-hydroxy-5-sulfobenzoicacid

    41. 4-11-00-00702 (beilstein Handbook Reference)

    42. Dtxsid7059145

    43. Sulfosalicylic Acid [mi]

    44. Nsc4741

    45. Hy-b1785

    46. Nsc-4741

    47. Zinc1680376

    48. Bbl008587

    49. Bdbm50219498

    50. Nsc190565

    51. Stk301570

    52. Sulfosalicylic Acid [who-dd]

    53. Akos000120294

    54. Ac-11271

    55. Cs-0013816

    56. Ft-0620777

    57. S0830

    58. 2-hydroxy-5-sulfobenzoic Acid; Lc-tdda; Ce10

    59. A845677

    60. Q238569

    61. W-100120

    62. Z1235940936

    2.4 Create Date
    2005-03-26
    3 Chemical and Physical Properties
    Molecular Weight 218.19 g/mol
    Molecular Formula C7H6O6S
    XLogP31.3
    Hydrogen Bond Donor Count3
    Hydrogen Bond Acceptor Count6
    Rotatable Bond Count2
    Exact Mass217.98850908 g/mol
    Monoisotopic Mass217.98850908 g/mol
    Topological Polar Surface Area120 Ų
    Heavy Atom Count14
    Formal Charge0
    Complexity316
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1