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    3,4,5-Trimethoxytoluene

    ACTIVE PHARMA INGREDIENTS

    PharmaCompass
    $ API Ref.Price (USD/KG) : 26Xls

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    2D Structure
    Also known as: 6443-69-2, 1,2,3-trimethoxy-5-methylbenzene, Benzene, 1,2,3-trimethoxy-5-methyl-, 1,2,3-trimethoxy-5-methyl-benzene, Toluene, 3,4,5-trimethoxy-, Chembl156710
    Molecular Formula
    C10H14O3
    Molecular Weight
    182.22  g/mol
    InChI Key
    KCIZTNZGSBSSRM-UHFFFAOYSA-N
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    1,2,3-trimethoxy-5-methylbenzene
    2.1.2 InChI
    InChI=1S/C10H14O3/c1-7-5-8(11-2)10(13-4)9(6-7)12-3/h5-6H,1-4H3
    2.1.3 InChI Key
    KCIZTNZGSBSSRM-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    CC1=CC(=C(C(=C1)OC)OC)OC
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. 6443-69-2

    2. 1,2,3-trimethoxy-5-methylbenzene

    3. Benzene, 1,2,3-trimethoxy-5-methyl-

    4. 1,2,3-trimethoxy-5-methyl-benzene

    5. Toluene, 3,4,5-trimethoxy-

    6. Chembl156710

    7. Chebi:81354

    8. Mfcd00008397

    9. 5-methylpyrogallol Trimethyl Ether

    10. Einecs 229-239-0

    11. 3,4,5-trimethoxy-toluene

    12. Ec 229-239-0

    13. 3,4,5-trimethoxy Toluene

    14. Schembl171116

    15. Dtxsid80214683

    16. 3,4,5-trimethoxytoluene, 97%

    17. Zinc391984

    18. 5-methyl-1,2,3-trimethoxybenzene

    19. Amy18065

    20. Bdbm50008538

    21. Akos000121615

    22. Benzene, 5-methyl-1,2,3-trimethoxy

    23. Ac-4356

    24. Cs-w017113

    25. As-57893

    26. Sy030334

    27. Db-021836

    28. Ft-0614155

    29. T1236

    30. C17822

    31. D70896

    32. A834752

    33. W-104840

    34. Q27155292

    2.3 Create Date
    2005-03-27
    3 Chemical and Physical Properties
    Molecular Weight 182.22 g/mol
    Molecular Formula C10H14O3
    XLogP31.8
    Hydrogen Bond Donor Count0
    Hydrogen Bond Acceptor Count3
    Rotatable Bond Count3
    Exact Mass182.094294304 g/mol
    Monoisotopic Mass182.094294304 g/mol
    Topological Polar Surface Area27.7 Ų
    Heavy Atom Count13
    Formal Charge0
    Complexity135
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1