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    CAS-4093-29-2

    BUILDING BLOCK

    PharmaCompass
    Xls

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    2D Structure
    Also known as: 4093-29-2, Methyl 4-(acetylamino)-2-methoxybenzoate, Methyl 4-(acetylamino)-o-anisate, Methyl 4-acetamido-o-anisate, Benzoic acid, 4-(acetylamino)-2-methoxy-, methyl ester, W4ujw899ba
    Molecular Formula
    C11H13NO4
    Molecular Weight
    223.22  g/mol
    InChI Key
    OERVVBDWGVOBIS-UHFFFAOYSA-N
    FDA UNII
    W4UJW899BA
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    methyl 4-acetamido-2-methoxybenzoate
    2.1.2 InChI
    InChI=1S/C11H13NO4/c1-7(13)12-8-4-5-9(11(14)16-3)10(6-8)15-2/h4-6H,1-3H3,(H,12,13)
    2.1.3 InChI Key
    OERVVBDWGVOBIS-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    CC(=O)NC1=CC(=C(C=C1)C(=O)OC)OC
    2.2 Other Identifiers
    2.2.1 UNII
    W4UJW899BA
    2.3 Synonyms
    2.3.1 Depositor-Supplied Synonyms

    1. 4093-29-2

    2. Methyl 4-(acetylamino)-2-methoxybenzoate

    3. Methyl 4-(acetylamino)-o-anisate

    4. Methyl 4-acetamido-o-anisate

    5. Benzoic Acid, 4-(acetylamino)-2-methoxy-, Methyl Ester

    6. W4ujw899ba

    7. Dtxsid7057739

    8. 4-acetylamino-2-methoxy-benzoic Acid Methyl Ester

    9. Mfcd00065258

    10. Methyl 4-acetylamino-2-methoxybenzoate

    11. 4-acetamido-2-methoxybenzoic Acid Methyl Ester

    12. 4-acetylamino-2-methoxybenzoic Acid Methyl Ester

    13. Methyl4-acetamido-2-methoxybenzoate

    14. Unii-w4ujw899ba

    15. Einecs 223-839-6

    16. Schembl2555975

    17. Chembl3560107

    18. Dtxcid8031528

    19. Tox21_113908

    20. Methyl-4-acetamido-2-methoxybenzoate

    21. Stk048494

    22. Akos003238555

    23. Cs-w020563

    24. Methyl 4-acetamido-2-methoxy-benzoate

    25. Sb79893

    26. 4-acetamido-o-anisic Acid Methyl Ester

    27. Ncgc00262910-01

    28. Ds-17905

    29. Sy034819

    30. Cas-4093-29-2

    31. Db-049683

    32. Ft-0635121

    33. M2776

    34. Metoclopramide Impurity D [ep Impurity]

    35. A825353

    36. Sr-01000945021

    37. Sr-01000945021-1

    38. W-106330

    39. Q27292298

    2.4 Create Date
    2005-07-07
    3 Chemical and Physical Properties
    Molecular Weight 223.22 g/mol
    Molecular Formula C11H13NO4
    XLogP31.2
    Hydrogen Bond Donor Count1
    Hydrogen Bond Acceptor Count4
    Rotatable Bond Count4
    Exact Mass g/mol
    Monoisotopic Mass g/mol
    Topological Polar Surface Area64.6
    Heavy Atom Count16
    Formal Charge0
    Complexity267
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1