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    CAS 50-85-1

    BUILDING BLOCK

    PharmaCompass
    Xls

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    2D Structure
    Also known as: 50-85-1, 2-hydroxy-4-methylbenzoic acid, M-cresotic acid, M-cresotinic acid, 2,4-cresotic acid, 2-hydroxy-p-toluic acid
    Molecular Formula
    C8H8O3
    Molecular Weight
    152.15  g/mol
    InChI Key
    NJESAXZANHETJV-UHFFFAOYSA-N
    FDA UNII
    4H0106V3D3
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    2-hydroxy-4-methylbenzoic acid
    2.1.2 InChI
    InChI=1S/C8H8O3/c1-5-2-3-6(8(10)11)7(9)4-5/h2-4,9H,1H3,(H,10,11)
    2.1.3 InChI Key
    NJESAXZANHETJV-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    CC1=CC(=C(C=C1)C(=O)O)O
    2.2 Other Identifiers
    2.2.1 UNII
    4H0106V3D3
    2.3 Synonyms
    2.3.1 MeSH Synonyms

    1. 2-hydroxy-p-toluic Acid

    2.3.2 Depositor-Supplied Synonyms

    1. 50-85-1

    2. 2-hydroxy-4-methylbenzoic Acid

    3. M-cresotic Acid

    4. M-cresotinic Acid

    5. 2,4-cresotic Acid

    6. 2-hydroxy-p-toluic Acid

    7. M-homosalicylic Acid

    8. 4-methyl-2-hydroxybenzoic Acid

    9. Benzoic Acid, 2-hydroxy-4-methyl-

    10. Gamma-cresotic Acid

    11. 4-methylsalicyclic Acid

    12. 4-methylsalicylate

    13. .gamma.-cresotic Acid

    14. Nsc 16634

    15. 2-hydroxy-4-methyl-benzoic Acid

    16. Chebi:20450

    17. Nsc16634

    18. Mfcd00002454

    19. Nsc-16634

    20. 4h0106v3d3

    21. 4-methyl Salicylic Acid

    22. Einecs 200-068-3

    23. Brn 2208140

    24. Ai3-25424

    25. Unii-4h0106v3d3

    26. 4-methysalicylic Acid

    27. Bmse000624

    28. 4-10-00-00617 (beilstein Handbook Reference)

    29. 2-hydroxy-4-methylbenzoicacid

    30. M-cresotic Acid [mi]

    31. Schembl168869

    32. 4-methylsalicylic Acid, 99%

    33. 4-methyl-2-hydroxobenzoic Acid

    34. Chembl1650625

    35. Dtxsid30198166

    36. Zinc407084

    37. Ac7810

    38. S5519

    39. Akos000120850

    40. Ccg-266222

    41. Cs-w009192

    42. Fs-1791

    43. Ac-11661

    44. Bp-12491

    45. Hy-78144

    46. Sy001921

    47. Db-013337

    48. Am20060640

    49. Ft-0619108

    50. W-105927

    51. Q15634118

    52. 4-methylsalicylic Acid, Vetec(tm) Reagent Grade, 99%

    53. Z1270312079

    2.4 Create Date
    2005-03-26
    3 Chemical and Physical Properties
    Molecular Weight 152.15 g/mol
    Molecular Formula C8H8O3
    XLogP33
    Hydrogen Bond Donor Count2
    Hydrogen Bond Acceptor Count3
    Rotatable Bond Count1
    Exact Mass152.047344113 g/mol
    Monoisotopic Mass152.047344113 g/mol
    Topological Polar Surface Area57.5 Ų
    Heavy Atom Count11
    Formal Charge0
    Complexity155
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1