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    3,4,5-Trimethoxybenzaldehyde

    ACTIVE PHARMA INGREDIENTS

    PharmaCompass
    $ API Ref.Price (USD/KG) : 67Xls

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    2D Structure
    Also known as: 86-81-7, Benzaldehyde, 3,4,5-trimethoxy-, Mfcd00003364, 3,4,5-trimethoxy benzaldehyde, 3,4,5-trimethoxy-benzaldehyde, Wl86yd76n6
    Molecular Formula
    C10H12O4
    Molecular Weight
    196.20  g/mol
    InChI Key
    OPHQOIGEOHXOGX-UHFFFAOYSA-N
    FDA UNII
    WL86YD76N6
    3,4,5-trimethoxybenzaldehyde is a natural product found in Zanthoxylum ailanthoides, Cassia grandis, and Piper solmsianum with data available.
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    3,4,5-trimethoxybenzaldehyde
    2.1.2 InChI
    InChI=1S/C10H12O4/c1-12-8-4-7(6-11)5-9(13-2)10(8)14-3/h4-6H,1-3H3
    2.1.3 InChI Key
    OPHQOIGEOHXOGX-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    COC1=CC(=CC(=C1OC)OC)C=O
    2.2 Other Identifiers
    2.2.1 UNII
    WL86YD76N6
    2.3 Synonyms
    2.3.1 Depositor-Supplied Synonyms

    1. 86-81-7

    2. Benzaldehyde, 3,4,5-trimethoxy-

    3. Mfcd00003364

    4. 3,4,5-trimethoxy Benzaldehyde

    5. 3,4,5-trimethoxy-benzaldehyde

    6. Wl86yd76n6

    7. Nsc-16692

    8. Einecs 201-701-6

    9. Nsc 16692

    10. Brn 0395163

    11. Unii-wl86yd76n6

    12. Benzaldehyde,3,4,5-trimethoxy-

    13. Ai3-36673

    14. Nsc16692

    15. Trimethoprim Intermediates

    16. 3,5-trimethoxybenzaldehyde

    17. Schembl96635

    18. 3,4,5 Trimethoxybenzaldehyde

    19. 4-08-00-02719 (beilstein Handbook Reference)

    20. 3,4,5 -trimethoxybenzaldehyde

    21. 3,4,5,-trimethoxybenzaldehyde

    22. Chembl3577781

    23. Dtxsid4058948

    24. 3, 4, 5-trimethoxybenzaldehyde

    25. 3,4,5,-trimethoxy Benzaldehyde

    26. 3, 4, 5-trimethoxy-benzaldehyde

    27. Bcp30525

    28. Str03224

    29. Zinc2504375

    30. 3,4,5-trimethoxybenzoic Acid,(s)

    31. Ac7996

    32. Bbl007764

    33. Nsc778227

    34. Stk498479

    35. 3,4,5-trimethoxybenzaldehyde, 98%

    36. Akos000118928

    37. Ccg-231504

    38. Cs-w010602

    39. Hy-w009886

    40. Nsc-778227

    41. Ac-11732

    42. Sy010811

    43. Db-056953

    44. Ft-0614154

    45. Ft-0675584

    46. Ft-0675585

    47. T0059

    48. A841837

    49. W-104057

    50. Q15634093

    51. 3,4,5-trimethoxybenzaldehyde, Purum, >=98.0% (hplc)

    52. F3099-6595

    2.4 Create Date
    2005-03-26
    3 Chemical and Physical Properties
    Molecular Weight 196.20 g/mol
    Molecular Formula C10H12O4
    XLogP30.9
    Hydrogen Bond Donor Count0
    Hydrogen Bond Acceptor Count4
    Rotatable Bond Count4
    Exact Mass196.07355886 g/mol
    Monoisotopic Mass196.07355886 g/mol
    Topological Polar Surface Area44.8 Ų
    Heavy Atom Count14
    Formal Charge0
    Complexity169
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1