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    Technical details about CAS 35202-54-1, learn more about the structure, uses, toxicity, action, side effects and more

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    CAS 35202-54-1

    BUILDING BLOCK

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    2D Structure
    Also known as: 35202-54-1, 3,4-dimethoxybicyclo[4.2.0]octa-1,3,5-triene-7-carbonitrile, 1-cyano-4,5-dimethoxybenzocyclobutene, 4,5-dimethoxy-1-benzocyclobutenecarbonitrile, 3,4-dimethoxybicyclo(4.2.0)octa-1,3,5-triene-7-carbonitrile, Bicyclo[4.2.0]octa-1,3,5-triene-7-carbonitrile, 3,4-dimethoxy-
    Molecular Formula
    C11H11NO2
    Molecular Weight
    189.21  g/mol
    InChI Key
    HJTHVTHXHHFXMJ-UHFFFAOYSA-N
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    3,4-dimethoxybicyclo[4.2.0]octa-1,3,5-triene-7-carbonitrile
    2.1.2 InChI
    InChI=1S/C11H11NO2/c1-13-10-4-7-3-8(6-12)9(7)5-11(10)14-2/h4-5,8H,3H2,1-2H3
    2.1.3 InChI Key
    HJTHVTHXHHFXMJ-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    COC1=C(C=C2C(CC2=C1)C#N)OC
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. 35202-54-1

    2. 3,4-dimethoxybicyclo[4.2.0]octa-1,3,5-triene-7-carbonitrile

    3. 1-cyano-4,5-dimethoxybenzocyclobutene

    4. 4,5-dimethoxy-1-benzocyclobutenecarbonitrile

    5. 3,4-dimethoxybicyclo(4.2.0)octa-1,3,5-triene-7-carbonitrile

    6. Bicyclo[4.2.0]octa-1,3,5-triene-7-carbonitrile, 3,4-dimethoxy-

    7. Nsc154410

    8. Mfcd01846132

    9. Nsc 154410

    10. Schembl333286

    11. Dtxsid301020939

    12. Bcp10456

    13. Bbl029490

    14. Stl250406

    15. Akos004907934

    16. Ds-1889

    17. Nsc-154410

    18. 4,5-dimethoxy-1-cyano-benzocyclobutane

    19. Ac-22607

    20. Sy053303

    21. Db-069165

    22. Am20090736

    23. Cs-0097967

    24. D4485

    25. Ft-0659839

    26. 202d541

    27. J-514095

    28. 4,5-dimethoxy-1,2-dihydrocyclobutabenzene-1-carbonitrile

    29. 3,4-dimethoxybicyclo[4.2.0]octa-1(6),2,4-triene-7-carbonitrile

    2.3 Create Date
    2005-03-26
    3 Chemical and Physical Properties
    Molecular Weight 189.21 g/mol
    Molecular Formula C11H11NO2
    XLogP30.6
    Hydrogen Bond Donor Count0
    Hydrogen Bond Acceptor Count3
    Rotatable Bond Count2
    Exact Mass189.078978594 g/mol
    Monoisotopic Mass189.078978594 g/mol
    Topological Polar Surface Area42.2 Ų
    Heavy Atom Count14
    Formal Charge0
    Complexity257
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count1
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1