loader
Please Wait
Applying Filters...

Evonik Evonik

X
menu

    Market Place

    Market Place

    Post Enquiry

    Post Enquiry
    menu

    Technical details about CAS_1136-86-3, learn more about the structure, uses, toxicity, action, side effects and more

    Client Email Product
    Menu

    CAS_1136-86-3

    Manufacturers/Suppliers

    PharmaCompass

    Minakem offers CDMO services for API & HPAPI, generics, regulatory expertise, track record performance & FDA & GMP certifications.

    Temad- We think of world-class quality.

    2D Structure
    1. 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
    Post Enquiry
    POST ENQUIRY