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    CAS 99-10-5

    BUILDING BLOCK

    PharmaCompass
    Xls

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    2D Structure
    Also known as: 99-10-5, Alpha-resorcylic acid, 5-carboxyresorcinol, Benzoic acid, 3,5-dihydroxy-, A-resorcylic acid, 3,5-dihydroxybenzoicacid
    Molecular Formula
    C7H6O4
    Molecular Weight
    154.12  g/mol
    InChI Key
    UYEMGAFJOZZIFP-UHFFFAOYSA-N
    FDA UNII
    2WC5LMO6L1
    3,5-dihydroxybenzoic acid is a natural product found in Viburnum cylindricum, Persea americana, and other organisms with data available.
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    3,5-dihydroxybenzoic acid
    2.1.2 InChI
    InChI=1S/C7H6O4/c8-5-1-4(7(10)11)2-6(9)3-5/h1-3,8-9H,(H,10,11)
    2.1.3 InChI Key
    UYEMGAFJOZZIFP-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    C1=C(C=C(C=C1O)O)C(=O)O
    2.2 Other Identifiers
    2.2.1 UNII
    2WC5LMO6L1
    2.3 Synonyms
    2.3.1 MeSH Synonyms

    1. Alpha-resorcylic Acid

    2. Alpha-resorcylic Acid, Copper (2+) Salt

    3. Alpha-resorcylic Acid, Sodium Salt

    2.3.2 Depositor-Supplied Synonyms

    1. 99-10-5

    2. Alpha-resorcylic Acid

    3. 5-carboxyresorcinol

    4. Benzoic Acid, 3,5-dihydroxy-

    5. A-resorcylic Acid

    6. 3,5-dihydroxybenzoicacid

    7. 3,5-dihydroxy-benzoic Acid

    8. 3,5-dihydroxybenzoate

    9. Nsc 22948

    10. 3,5-dhba

    11. .alpha.-resorcylic Acid

    12. Unii-2wc5lmo6l1

    13. 3,5-dihydroxy Benzoic Acid

    14. Mfcd00002512

    15. 2wc5lmo6l1

    16. Chembl95308

    17. Chebi:39912

    18. 3,5-dihydroxybenzoic Acid, 97%

    19. Nsc-22948

    20. Benzoic Acid, 3,5-dihydroxy-, Homopolymer

    21. 145639-71-0

    22. 3,5-dihydroxybenzoic Acid (alpha-resorcylic Acid)

    23. Einecs 202-730-7

    24. Brn 2207864

    25. Ai3-52338

    26. 3,5-dihyroxybenzoic Acid

    27. 3,5-dihydroxybenzoate, Ix

    28. Schembl28106

    29. 4-10-00-01501 (beilstein Handbook Reference)

    30. Gtpl5783

    31. Dtxsid8059184

    32. Zinc388546

    33. Nsc22948

    34. Str02341

    35. Bbl019762

    36. Bdbm50336490

    37. S6160

    38. Stl146349

    39. Akos005721135

    40. Ab00234

    41. Ac-1166

    42. Cs-w016276

    43. Hy-w015560

    44. Ps-4051

    45. 34d

    46. Ac-10253

    47. Sy003472

    48. Db-028292

    49. 3,5-dihydroxybenzoic Acid (acd/name 4.0)

    50. B7686

    51. D0570

    52. D2554

    53. Ft-0602267

    54. P16552

    55. Ae-562/40806860

    56. Alpha-resorcylic Acid (3,5-dihydroxybenzoic Acid)

    57. Q-200348

    58. Q4634089

    59. Terbutaline Sulfate Impurity A [ep Impurity]

    60. F0001-2331

    61. Z1705787110

    62. 3,5-dihydroxybenzoic Acid, Vetec(tm) Reagent Grade, 97%

    63. 19991-00-5

    2.4 Create Date
    2005-03-26
    3 Chemical and Physical Properties
    Molecular Weight 154.12 g/mol
    Molecular Formula C7H6O4
    XLogP30.9
    Hydrogen Bond Donor Count3
    Hydrogen Bond Acceptor Count4
    Rotatable Bond Count1
    Exact Mass154.02660867 g/mol
    Monoisotopic Mass154.02660867 g/mol
    Topological Polar Surface Area77.8 Ų
    Heavy Atom Count11
    Formal Charge0
    Complexity147
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1