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    Technical details about CAS 330792-69-3, learn more about the structure, uses, toxicity, action, side effects and more

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    CAS 330792-69-3

    Manufacturers/Suppliers

    PharmaCompass

    Symbiotec: Global API manufacturer, specializing in Cortico-Steroids & Steroid-Hormone APIs.

    Metrochem has been delivering customized volume & quality products to customers across the world, taking utmost care of their needs.

    2D Structure
    1. Also known as: 330792-69-3, Propanedinitrile, 2-[methoxy(4-phenoxyphenyl)methylene]-, Propanedinitrile, [methoxy(4-phenoxyphenyl)methylene]-, Mfcd20140315, 2-[methoxy-(4-phenoxyphenyl)methylidene]propanedinitrile, 2-[methoxy(4-phenoxyphenyl)methylene]malononitrile
    Molecular Formula
    C17H12N2O2
    Molecular Weight
    276.29  g/mol
    InChI Key
    IRVRZQLHMPWLLY-UHFFFAOYSA-N
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    2-[methoxy-(4-phenoxyphenyl)methylidene]propanedinitrile
    2.1.2 InChI
    InChI=1S/C17H12N2O2/c1-20-17(14(11-18)12-19)13-7-9-16(10-8-13)21-15-5-3-2-4-6-15/h2-10H,1H3
    2.1.3 InChI Key
    IRVRZQLHMPWLLY-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    COC(=C(C#N)C#N)C1=CC=C(C=C1)OC2=CC=CC=C2
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. 330792-69-3

    2. Propanedinitrile, 2-[methoxy(4-phenoxyphenyl)methylene]-

    3. Propanedinitrile, [methoxy(4-phenoxyphenyl)methylene]-

    4. Mfcd20140315

    5. 2-[methoxy-(4-phenoxyphenyl)methylidene]propanedinitrile

    6. 2-[methoxy(4-phenoxyphenyl)methylene]malononitrile

    7. Schembl200799

    8. Amy8950

    9. Dtxsid901220892

    10. Bcp15256

    11. Cs-m2595

    12. Zb1493

    13. Ac-29710

    14. Ds-19435

    15. Sy116157

    16. Dicyano-2-methoxy-2-(4-phenoxyphenyl)ethene

    17. H10906

    18. 1,1-dicyano-2-methoxy-2(4-phenoxyphenyl)ethene

    19. 1,1-dicyano-2-methoxy-2-(4-phenoxyphenyl)ethene

    20. 2-[(4-phenoxy-phenyl)-methoxy-methylene]malononitrile

    21. 2-[(methoxy)(4-phenoxyphenyl)methylene]malononitrile

    22. Propanedinitrile, 2-methoxy(4-henoxyphenyl)ethylene]-

    23. 2-[(4-phenoxy-phenyl)-methoxy-methylene]-malononitrile

    24. Propanedinitrile,2-[methoxy(4-phenoxyphenyl)methylene]-

    2.3 Create Date
    2007-12-05
    3 Chemical and Physical Properties
    Molecular Weight 276.29 g/mol
    Molecular Formula C17H12N2O2
    XLogP33.3
    Hydrogen Bond Donor Count0
    Hydrogen Bond Acceptor Count4
    Rotatable Bond Count4
    Exact Mass g/mol
    Monoisotopic Mass g/mol
    Topological Polar Surface Area66
    Heavy Atom Count21
    Formal Charge0
    Complexity448
    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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