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    Technical details about CAS 121-34-6, learn more about the structure, uses, toxicity, action, side effects and more

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    CAS 121-34-6

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    2D Structure
    1. Also known as: 4-hydroxy-3-methoxybenzoic acid, 121-34-6, Acide vanillique, P-vanillic acid, Benzoic acid, 4-hydroxy-3-methoxy-, 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. P-vanillic Acid

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

    6. 3-methoxy-4-hydroxybenzoic Acid

    7. M-anisic Acid, 4-hydroxy-

    8. Vanillate

    9. Vanillicacid

    10. Protocatechuic Acid, 3-methyl Ester

    11. Nsc 3987

    12. Nsc 674322

    13. 4-hydroxy-3-methoxy-benzoic Acid

    14. Unii-gm8q3jm2y8

    15. 4-hydroxy-3-methoxybenzoate

    16. Einecs 204-466-8

    17. Gm8q3jm2y8

    18. Mfcd00002551

    19. Brn 2208364

    20. Chebi:30816

    21. Ai3-19542

    22. Nsc-3987

    23. Nsc-674322

    24. Va

    25. Chembl120568

    26. Dtxsid6059522

    27. Fema No. 3988

    28. Droxidopa Metabolite (va)

    29. 4-hydroxy-3-methoxy Benzoic Acid

    30. 2-methoxy-4-carboxyphenol

    31. Nsc674322

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

    33. Acid, Vanillic

    34. Va (van)

    35. Vnl

    36. 4-hydroxy-m-anisic Acid

    37. Vanillinsaure

    38. P-vanillate

    39. Vanilic Acid

    40. 4-hydroxy-3-methoxybenzoicacid

    41. 4 Hydroxy 3 Methoxybenzoic Acid

    42. P Hydroxy M Methoxy Benzoic Acid

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

    44. Acid, 4-hydroxy-3-methoxybenzoic

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

    46. Vanillic Acid,(s)

    47. 4-hydroxy-m-anisate

    48. Vanillic Acid (m2)

    49. Vanillic Acid, 97%

    50. Bmse000486

    51. Bmse000614

    52. Bmse010205

    53. Wln: Qvr Dq Co1

    54. Vanillic Acid [mi]

    55. 3-methoxy-4-hydroxybenzoate

    56. Schembl26179

    57. Mls000574833

    58. 4-hydroxy-3-methoxy-benzoate

    59. Vanillic Acid, >=97%, Fg

    60. 4-hydroxy-3methoxy Benzoic Acid

    61. Dtxcid1033668

    62. 4-hydroxyl-3-methoxybenzoic Acid

    63. Nsc3987

    64. 4- Hydroxy-3-methoxybenzoic Acid

    65. Hms2197e16

    66. Protocatechuic Acid 3-methyl Ester

    67. Hy-n0708

    68. Str02334

    69. Bbl011982

    70. Bdbm50337364

    71. Ck2172

    72. S5343

    73. Stl163472

    74. Akos000113195

    75. Ccg-266343

    76. Ncgc00247610-01

    77. 1st40128

    78. Ac-11841

    79. Bp-13246

    80. Smr000156289

    81. Sy001450

    82. Db-003804

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

    84. Am20050239

    85. Cs-0009728

    86. Ns00014581

    87. V0017

    88. 4-hydroxy-3-methoxybenzoic Acid [fhfi]

    89. C06672

    90. En300-105765

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

    92. A804715

    93. Q419672

    94. Q-201921

    95. Z381356666

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

    97. 3e9555e5-85f5-4fce-a429-5182e959c6a3

    98. Inchi=1/c8h8o4/c1-12-7-4-5(8(10)11)2-3-6(7)9/h2-4,9h,1h3,(h,10,11

    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 Mass g/mol
    Monoisotopic Mass g/mol
    Topological Polar Surface Area66.8
    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
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