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    Technical details about Vanillic Acid, learn more about the structure, uses, toxicity, action, side effects and more

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    Vanillic Acid

    ACTIVE PHARMA INGREDIENTS

    PRICE INFORMATION

    PharmaCompass
    $ API Ref.Price (USD/KG) : 1,382Xls

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    2D Structure
    Also known as: 4-hydroxy-3-methoxybenzoic acid, 121-34-6, Acide vanillique, Benzoic acid, 4-hydroxy-3-methoxy-, P-vanillic acid, 3-methoxy-4-hydroxybenzoic acid
    Molecular Formula
    C8H8O4
    Molecular Weight
    168.15  g/mol
    InChI Key
    WKOLLVMJNQIZCI-UHFFFAOYSA-N
    FDA UNII
    GM8Q3JM2Y8
    A flavoring agent. It is the intermediate product in the two-step bioconversion of ferulic acid to vanillin. (J Biotechnol 1996;50(2-3):107-13).
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    4-hydroxy-3-methoxybenzoic acid
    2.1.2 InChI
    InChI=1S/C8H8O4/c1-12-7-4-5(8(10)11)2-3-6(7)9/h2-4,9H,1H3,(H,10,11)
    2.1.3 InChI Key
    WKOLLVMJNQIZCI-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    COC1=C(C=CC(=C1)C(=O)O)O
    2.2 Other Identifiers
    2.2.1 UNII
    GM8Q3JM2Y8
    2.3 Synonyms
    2.3.1 MeSH Synonyms

    1. 4 Hydroxy 3 Methoxybenzoic Acid

    2. 4-hydroxy-3-methoxybenzoic Acid

    3. Acid, 4-hydroxy-3-methoxybenzoic

    4. Acid, P-hydroxy-m-methoxy-benzoic

    5. Acid, Vanillic

    6. P Hydroxy M Methoxy Benzoic Acid

    7. P-hydroxy-m-methoxy-benzoic Acid

    2.3.2 Depositor-Supplied Synonyms

    1. 4-hydroxy-3-methoxybenzoic Acid

    2. 121-34-6

    3. Acide Vanillique

    4. Benzoic Acid, 4-hydroxy-3-methoxy-

    5. P-vanillic Acid

    6. 3-methoxy-4-hydroxybenzoic Acid

    7. Vanillate

    8. M-anisic Acid, 4-hydroxy-

    9. Protocatechuic Acid, 3-methyl Ester

    10. 4-hydroxy-3-methoxy-benzoic Acid

    11. 4-hydroxy-3-methoxybenzoate

    12. Nsc 3987

    13. Nsc 674322

    14. Mfcd00002551

    15. Gm8q3jm2y8

    16. Chembl120568

    17. Chebi:30816

    18. Va

    19. 4-hydroxy-3-methoxy Benzoic Acid

    20. Nsc-3987

    21. Nsc674322

    22. Nsc-674322

    23. Vanillicacid

    24. Va (van)

    25. Vnl

    26. 4-hydroxy-m-anisic Acid

    27. Einecs 204-466-8

    28. Unii-gm8q3jm2y8

    29. Brn 2208364

    30. Vanillinsaure

    31. P-vanillate

    32. Vanilic Acid

    33. Ai3-19542

    34. Vanillic Acid,(s)

    35. 4-hydroxy-m-anisate

    36. Vanillic Acid (m2)

    37. Vanillic Acid, 97%

    38. Bmse000486

    39. Bmse000614

    40. Bmse010205

    41. Wln: Qvr Dq Co1

    42. Vanillic Acid [mi]

    43. 3-methoxy-4-hydroxybenzoate

    44. Schembl26179

    45. Vanillic Acid [inci]

    46. Mls000574833

    47. 4-hydroxy-3-methoxy-benzoate

    48. 4-hydroxy-3-methoxybenzoicacid

    49. Vanillic Acid, >=97%, Fg

    50. 4-hydroxy-3methoxy Benzoic Acid

    51. Dtxsid6059522

    52. Fema No. 3988

    53. 4-hydroxyl-3-methoxybenzoic Acid

    54. Droxidopa Metabolite (va)

    55. Nsc3987

    56. 2-methoxy-4-carboxyphenol

    57. 4- Hydroxy-3-methoxybenzoic Acid

    58. Hms2197e16

    59. Protocatechuic Acid 3-methyl Ester

    60. Zinc338275

    61. Hy-n0708

    62. Str02334

    63. Bbl011982

    64. Bdbm50337364

    65. Ck2172

    66. S5343

    67. Stl163472

    68. Akos000113195

    69. Ccg-266343

    70. M-methoxy-p-hydroxy-benzoic Acid

    71. Ncgc00247610-01

    72. Ac-11841

    73. Bp-13246

    74. Smr000156289

    75. Sy001450

    76. Db-003804

    77. Vanillic Acid, Purum, >=97.0% (hplc)

    78. Am20050239

    79. Cs-0009728

    80. Ft-0650155

    81. V0017

    82. 4-hydroxy-3-methoxybenzoic Acid [fhfi]

    83. C06672

    84. Vanillic Acid, Vetec(tm) Reagent Grade, 97%

    85. A804715

    86. Q419672

    87. Q-201921

    88. Z1741973874

    89. Vanillic Acid, Certified Reference Material, Tracecert(r)

    90. 3e9555e5-85f5-4fce-a429-5182e959c6a3

    2.4 Create Date
    2004-09-16
    3 Chemical and Physical Properties
    Molecular Weight 168.15 g/mol
    Molecular Formula C8H8O4
    XLogP31.4
    Hydrogen Bond Donor Count2
    Hydrogen Bond Acceptor Count4
    Rotatable Bond Count2
    Exact Mass168.04225873 g/mol
    Monoisotopic Mass168.04225873 g/mol
    Topological Polar Surface Area66.8 Ų
    Heavy Atom Count12
    Formal Charge0
    Complexity168
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1