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    CAS_1136-86-3

    BUILDING BLOCK

    PharmaCompass
    Xls

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    2D Structure
    Also known as: 1136-86-3, 1-(3,4,5-trimethoxyphenyl)ethanone, 3,4,5-trimethoxyacetophenone, Ethanone, 1-(3,4,5-trimethoxyphenyl)-, Mfcd00008738, 1-(3,4,5-trimethoxyphenyl)ethan-1-one
    Molecular Formula
    C11H14O4
    Molecular Weight
    210.23  g/mol
    InChI Key
    VUGQIIQFXCXZJU-UHFFFAOYSA-N
    FDA UNII
    35KU75558G
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    1-(3,4,5-trimethoxyphenyl)ethanone
    2.1.2 InChI
    InChI=1S/C11H14O4/c1-7(12)8-5-9(13-2)11(15-4)10(6-8)14-3/h5-6H,1-4H3
    2.1.3 InChI Key
    VUGQIIQFXCXZJU-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    CC(=O)C1=CC(=C(C(=C1)OC)OC)OC
    2.2 Other Identifiers
    2.2.1 UNII
    35KU75558G
    2.3 Synonyms
    2.3.1 MeSH Synonyms

    1. 3',4',5'-tma

    2.3.2 Depositor-Supplied Synonyms

    1. 1136-86-3

    2. 1-(3,4,5-trimethoxyphenyl)ethanone

    3. 3,4,5-trimethoxyacetophenone

    4. Ethanone, 1-(3,4,5-trimethoxyphenyl)-

    5. Mfcd00008738

    6. 1-(3,4,5-trimethoxyphenyl)ethan-1-one

    7. Nsc-30099

    8. 35ku75558g

    9. (3,4,5-trimethoxy)acetophenone

    10. Einecs 214-501-9

    11. Nsc 30099

    12. Zinc00057170

    13. Bmse010088

    14. (3,5-trimethoxy)acetophenone

    15. Schembl290542

    16. Unii-35ku75558g

    17. Bdbm81968

    18. Chebi:86547

    19. Zinc57170

    20. Dtxsid30150481

    21. Act07863

    22. Nsc30099

    23. 3,4,5-trimethoxy-1-acetyl Benzene

    24. Bbl034657

    25. Stl415950

    26. Acetophenone, 3',4',5'-trimethoxy

    27. Akos000119391

    28. Tma,3,4,5-

    29. 1-(3,4,5-trimethoxyphenyl)ethanone #

    30. 1-(3,4,5-trimethoxyphenyl)-1-ethanone

    31. 3',4',5'-trimethoxyacetophenone, 98%

    32. Ac-23726

    33. As-48162

    34. Sy049790

    35. Cas_1136-86-3

    36. Db-022819

    37. Am20080566

    38. Cs-0075988

    39. Ft-0614156

    40. T0898

    41. F19548

    42. A803082

    43. Sr-01000039809

    44. J-003003

    45. Sr-01000039809-1

    46. Q27159233

    47. Z56889007

    48. F0850-6776

    49. 3 Inverted Exclamation Mark ,4 Inverted Exclamation Mark ,5 Inverted Exclamation Mark -trimethoxyacetophenone

    2.4 Create Date
    2005-03-26
    3 Chemical and Physical Properties
    Molecular Weight 210.23 g/mol
    Molecular Formula C11H14O4
    XLogP31.2
    Hydrogen Bond Donor Count0
    Hydrogen Bond Acceptor Count4
    Rotatable Bond Count4
    Exact Mass210.08920892 g/mol
    Monoisotopic Mass210.08920892 g/mol
    Topological Polar Surface Area44.8 Ų
    Heavy Atom Count15
    Formal Charge0
    Complexity203
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1