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    60758-86-3 manufacturers and suppliers on PharmaCompass

    Seqens is an integrated global leader in pharmaceutical solutions & specialty ingredients & provides custom-made solutions.

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    AbbVie CDMO has been working with global companies to develop, manufacture & scale biopharmaceutical products.

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    xyz-pharma-m-2024-10-07

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    EUROAPI, the leading small molecules API player, provides both API sales & CDMO services.

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    ChemWerth works in generic API development & supply, non-infringement patent strategy development and regulatory support.

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    xyz-pharma-m-2024-10-07

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    BUILDING BLOCK

    PharmaCompass

    Chemistry

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    Also known as: 60758-86-3, Benzonitrile, 3-ethoxy-4-methoxy-, Mfcd02256160, 3-ethoxy-4-methoxy-benzonitrile, Schembl1964286, Dtxsid80398073
    Molecular Formula
    C10H11NO2
    Molecular Weight
    177.20  g/mol
    InChI Key
    XTIINWPNAMHVDG-UHFFFAOYSA-N
    60758-86-3
    1 2D Structure

    60758-86-3

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    3-ethoxy-4-methoxybenzonitrile
    2.1.2 InChI
    InChI=1S/C10H11NO2/c1-3-13-10-6-8(7-11)4-5-9(10)12-2/h4-6H,3H2,1-2H3
    2.1.3 InChI Key
    XTIINWPNAMHVDG-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    CCOC1=C(C=CC(=C1)C#N)OC
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. 60758-86-3

    2. Benzonitrile, 3-ethoxy-4-methoxy-

    3. Mfcd02256160

    4. 3-ethoxy-4-methoxy-benzonitrile

    5. Schembl1964286

    6. Dtxsid80398073

    7. Xtiinwpnamhvdg-uhfffaoysa-n

    8. Amy38605

    9. Bcp09392

    10. Cs-m3350

    11. Stl255220

    12. Akos000304576

    13. Ds-7497

    14. Sy056573

    15. E1109

    16. Ft-0745794

    2.3 Create Date
    2005-09-12
    3 Chemical and Physical Properties
    Molecular Weight 177.20 g/mol
    Molecular Formula C10H11NO2
    XLogP32.2
    Hydrogen Bond Donor Count0
    Hydrogen Bond Acceptor Count3
    Rotatable Bond Count3
    Exact Mass g/mol
    Monoisotopic Mass g/mol
    Topological Polar Surface Area42.2
    Heavy Atom Count13
    Formal Charge0
    Complexity196
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1

    BUILDING BLOCK

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