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    CAS 80407-68-7 manufacturers and suppliers on PharmaCompass

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    CAS 80407-68-7

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    CAS 80407-68-7
    Also known as: 80407-68-7, Schembl481979, Dtxsid80581645, Amy22068, Akos016012558, Cs-0455854
    Molecular Formula
    C13H17NO4
    Molecular Weight
    251.28  g/mol
    InChI Key
    KTOCATSUCSJPCT-UHFFFAOYSA-N
    1 2D Structure

    CAS 80407-68-7

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    3,4-bis(2-methoxyethoxy)benzonitrile
    2.1.2 InChI
    InChI=1S/C13H17NO4/c1-15-5-7-17-12-4-3-11(10-14)9-13(12)18-8-6-16-2/h3-4,9H,5-8H2,1-2H3
    2.1.3 InChI Key
    KTOCATSUCSJPCT-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    COCCOC1=C(C=C(C=C1)C#N)OCCOC
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. 80407-68-7

    2. Schembl481979

    3. Dtxsid80581645

    4. Amy22068

    5. Akos016012558

    6. Cs-0455854

    7. Ft-0694093

    8. F19677

    9. A851910

    10. J-511118

    11. Benzonitrile, 3,4-bis(2-methoxyethoxy)-; 3,4-bis(2-methoxyethoxy)benzonitrile; 3,4-(2-methoxyethoxy)benzonitrile; 3,4-di(2-methoxyethoxy)benzonitrile

    2.3 Create Date
    2007-05-22
    3 Chemical and Physical Properties
    Molecular Weight 251.28 g/mol
    Molecular Formula C13H17NO4
    XLogP31.5
    Hydrogen Bond Donor Count0
    Hydrogen Bond Acceptor Count5
    Rotatable Bond Count8
    Exact Mass g/mol
    Monoisotopic Mass g/mol
    Topological Polar Surface Area60.7
    Heavy Atom Count18
    Formal Charge0
    Complexity263
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1
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    Sichuan Xieli Pharmaceutical

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    3-Aminophenylacetylene HCl

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    207226-02-6
    Erlotinib
    Xieli is an EU GMP\ Japan GMP\ Chinese GMP certified manufacturer of Botanical derivative APIs and Oncolo...
    Xieli is an EU GMP\ Japan GMP\ Chinese GMP certified manufacturer of Botanical derivative APIs and Oncology APIs from China.A leading producer of Rutin, Troxerutin, Diosmin, Artemisinin and Irinotecan HCL. DMF are available for products.Contract manufacturer for plant extraction, TCM, Solid formulation of Tablets, Granules, Capsules and etc with EU-GMP workshop.COS and cGMP application for products.R&D center, pilot scale plant, GMP workshops.
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