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    Methyl syringate

    BUILDING BLOCK

    PharmaCompass
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    2D Structure
    Also known as: Methyl syringate, 884-35-5, Methyl 3,5-dimethoxy-4-hydroxybenzoate, Syringic acid methyl ester, Benzoic acid, 4-hydroxy-3,5-dimethoxy-, methyl ester, Methyl 4-hydroxy-3,5-dimethoxy-benzoate
    Molecular Formula
    C10H12O5
    Molecular Weight
    212.20  g/mol
    InChI Key
    ZMXJAEGJWHJMGX-UHFFFAOYSA-N
    FDA UNII
    W5A196MP8A
    syringate is a natural product found in Buxus natalensis, Cestrum parqui, and other organisms with data available.
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    methyl 4-hydroxy-3,5-dimethoxybenzoate
    2.1.2 InChI
    InChI=1S/C10H12O5/c1-13-7-4-6(10(12)15-3)5-8(14-2)9(7)11/h4-5,11H,1-3H3
    2.1.3 InChI Key
    ZMXJAEGJWHJMGX-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    COC1=CC(=CC(=C1O)OC)C(=O)OC
    2.2 Other Identifiers
    2.2.1 UNII
    W5A196MP8A
    2.3 Synonyms
    2.3.1 MeSH Synonyms

    1. Methyl Syringate

    2.3.2 Depositor-Supplied Synonyms

    1. Methyl Syringate

    2. 884-35-5

    3. Methyl 3,5-dimethoxy-4-hydroxybenzoate

    4. Syringic Acid Methyl Ester

    5. Benzoic Acid, 4-hydroxy-3,5-dimethoxy-, Methyl Ester

    6. Methyl 4-hydroxy-3,5-dimethoxy-benzoate

    7. W5a196mp8a

    8. Chebi:45820

    9. Mfcd00017199

    10. Methyl 3,5-dimethoxy-4-hydroxybenzoate; Methyl Syringate

    11. Nsc-16946

    12. Sbb016976

    13. Ai3-36426

    14. Bmse010225

    15. Novoprime F 258

    16. Unii-w5a196mp8a

    17. Schembl159392

    18. Syringic Acid Monomethyl Ester

    19. Chembl1236122

    20. Dtxsid00237016

    21. Hms3886a03

    22. Zinc394334

    23. Nsc611398

    24. S4787

    25. Akos002911941

    26. Ccg-266660

    27. Cs-w002116

    28. Db08589

    29. Ds-2684

    30. Hy-w002116

    31. Nsc-611398

    32. Methyl 3,5-dimethoxy-4-hydroxy-benzoate

    33. Sy032894

    34. Methyl (4-hydroxy-3,5-dimethoxy)benzoate

    35. 530-57-4, Me

    36. Db-057070

    37. Ft-0633079

    38. M2806

    39. 4-hydroxy-3,5-dimethoxybenzoic Acid Methyl Ester

    40. 884m355

    41. Q27097791

    2.4 Create Date
    2005-03-26
    3 Chemical and Physical Properties
    Molecular Weight 212.20 g/mol
    Molecular Formula C10H12O5
    XLogP31.4
    Hydrogen Bond Donor Count1
    Hydrogen Bond Acceptor Count5
    Rotatable Bond Count4
    Exact Mass212.06847348 g/mol
    Monoisotopic Mass212.06847348 g/mol
    Topological Polar Surface Area65 Ų
    Heavy Atom Count15
    Formal Charge0
    Complexity204
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1