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    CAS 93-40-3

    BUILDING BLOCK

    PharmaCompass
    Xls

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    2D Structure
    Also known as: 93-40-3, 3,4-dimethoxyphenylacetic acid, 2-(3,4-dimethoxyphenyl)acetic acid, (3,4-dimethoxyphenyl)acetic acid, Benzeneacetic acid, 3,4-dimethoxy-, (3,4-dimethoxyphenyl) acetic acid
    Molecular Formula
    C10H12O4
    Molecular Weight
    196.20  g/mol
    InChI Key
    WUAXWQRULBZETB-UHFFFAOYSA-N
    FDA UNII
    YY50GIT3C7
    3,4-dimethoxyphenylacetic acid is a natural product found in Olea europaea and Zingiber officinale with data available.
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    2-(3,4-dimethoxyphenyl)acetic acid
    2.1.2 InChI
    InChI=1S/C10H12O4/c1-13-8-4-3-7(6-10(11)12)5-9(8)14-2/h3-5H,6H2,1-2H3,(H,11,12)
    2.1.3 InChI Key
    WUAXWQRULBZETB-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    COC1=C(C=C(C=C1)CC(=O)O)OC
    2.2 Other Identifiers
    2.2.1 UNII
    YY50GIT3C7
    2.3 Synonyms
    2.3.1 MeSH Synonyms

    1. (3,4-dimethoxyphenyl)acetic Acid

    2.3.2 Depositor-Supplied Synonyms

    1. 93-40-3

    2. 3,4-dimethoxyphenylacetic Acid

    3. 2-(3,4-dimethoxyphenyl)acetic Acid

    4. (3,4-dimethoxyphenyl)acetic Acid

    5. Benzeneacetic Acid, 3,4-dimethoxy-

    6. (3,4-dimethoxyphenyl) Acetic Acid

    7. 3,4-dimethoxyphenylaceticacid

    8. 3,4-dimethoxybenzeneacetic Acid

    9. 3,4-dimethoxyphenyl Acetic Acid

    10. Homoveratrumic Acid

    11. (3,4-dimethoxy-phenyl)-acetic Acid

    12. Acetic Acid, (3,4-dimethoxyphenyl)-

    13. 3,4-(dimethoxy)benzeneacetic Acid

    14. Mfcd00004335

    15. Yy50git3c7

    16. Nsc-2753

    17. Nsc-27897

    18. 2-(3,4-dimethoxyphenyl)ethanoic Acid

    19. Benzeneacetic Acid,4-dimethoxy-

    20. Acetic Acid,4-dimethoxyphenyl)-

    21. 3,4-(dimethoxyphenyl) Acetic Acid

    22. Nsc 2753

    23. Einecs 202-244-5

    24. Brn 1110282

    25. Homoveratrate

    26. Homovaretic Acid

    27. Ai3-23354

    28. 2-(3,4-dimethoxyphenyl)aceticacid

    29. Chemdiv3_014360

    30. 3,4-dimethoxyphenylacetate

    31. Bmse000682

    32. Unii-yy50git3c7

    33. 3,4-dimethoxybenzeneacetate

    34. (3,4-dimethoxyphenyl)acetate

    35. Schembl153055

    36. 3,4-dimethoxy-phenylacetic Acid

    37. 3,4-dimethoxyphenyl-acetic Acid

    38. Dtxsid5059086

    39. Chebi:86655

    40. Nsc2753

    41. Hms1513m16

    42. Kuc108679n

    43. Zinc156504

    44. 3,4-dimethyloxy Phenyl Acetic Acid

    45. Acetic Acid, 3,4-dimethoxyphenyl-

    46. Hy-y0771

    47. Nsc27897

    48. S3961

    49. Stk299264

    50. 3,4-dimethoxyphenylacetic Acid, 98%

    51. Akos000119394

    52. Bs-4085

    53. Ccg-266554

    54. Cs-w020108

    55. Alpha-(3,4-dimethoxyphenyl)acetic Acid

    56. Idi1_030158

    57. Ac-15716

    58. Ksc-11-262-2

    59. Sy006121

    60. Am20060235

    61. Bb 0248998

    62. D0640

    63. Eu-0066571

    64. Ft-0612084

    65. H-3300

    66. Ak-968/41169417

    67. Homoveratric Acid, Vetec(tm) Reagent Grade, 98%

    68. Sr-01000596943

    69. (3,4-dimethoxyphenyl)acetic Acid(homoveratric Acid)

    70. Sr-01000596943-1

    71. Q10395556

    72. Z56924495

    73. F0902-7631

    2.4 Create Date
    2005-03-26
    3 Chemical and Physical Properties
    Molecular Weight 196.20 g/mol
    Molecular Formula C10H12O4
    XLogP31
    Hydrogen Bond Donor Count1
    Hydrogen Bond Acceptor Count4
    Rotatable Bond Count4
    Exact Mass196.07355886 g/mol
    Monoisotopic Mass196.07355886 g/mol
    Topological Polar Surface Area55.8 Ų
    Heavy Atom Count14
    Formal Charge0
    Complexity193
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1