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    CAS 35202-54-1

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    CAS 35202-54-1
    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

    CAS 35202-54-1

    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
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      4,5-Dimethoxy-1-cyanobenzocyclobutane

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      Ivabradine Hydrochloride
      Tagoor Laboratories, established in 2018, is a part of the Tagoor Group. It specializes in providing APIs...
      Tagoor Laboratories, established in 2018, is a part of the Tagoor Group. It specializes in providing APIs, advanced intermediates and key starting materials for critical and high-growth therapeutic areas, with an emphasis on affordability, quality and timely delivery. It also provides end-to-end CDMO services. Headquartered in Hyderabad, Tagoor Labs is a fast-growing Indian pharma company that serves both branded and generic companies worldwide. The company’s organizational function includes R&D, supply chain, manufacturing, quality testing, quality assurance, regulatory affairs, marketing & sales, and packaging & warehousing departments.
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        Ivabradine Hydrochloride
        Dalian Richon Chem. Co., Ltd is a high-tech enterprise professionally involved in research and developmen...
        Dalian Richon Chem. Co., Ltd is a high-tech enterprise professionally involved in research and development, manufacturing process and sales service of pharmaceutical intermediates and APIs. It has passed ISO9001:2000 international quality management system certificate. Its business scope includes development and manufacturing of APIs and pharmaceutical intermediates, contract development and manufacturing for domestic and international pharmaceutical companies, technical consultation, service and transfer.
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          Ivabradine Hydrochloride
          Jiangsu Yutian Pharmaceutical Co., Ltd. is located in Dapu Pharmaceutical Zone of Lianyungang City in Jia...
          Jiangsu Yutian Pharmaceutical Co., Ltd. is located in Dapu Pharmaceutical Zone of Lianyungang City in Jiangsu Province. It is a new and high-tech enterprise engaged in research and production of bulk pharmaceutical chemicals, medical high-grade intermediate and other fine chemicals. We make efforts to provide wide customers with superior quality product. Covering an area of 66400 square meters and a construction area of 37600 square meters, our company has 8 synthesis plants, 1 GMP and FDA standard cleaning shop, modern and advanced production equipment, leading grade laboratory and excellent quality control center. In addition, there is outstanding technology development, production and management talents. Due to high quality and superior service, our products have been exported to Japan, South Korea, India and Europe. We sincerely welcome wide customers to visit us and pay guidance on our work! We would like to create brilliant future hand in hand with you!
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            4,5-Dimethoxy-1-benzocyclobutenecarbonitrile

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            Ivabradine Hydrochloride
            Jinan Lead Pharmaceutical Technology Co., LTD., located in Jinan, Shandong Province, is mainly engaged in...
            Jinan Lead Pharmaceutical Technology Co., LTD., located in Jinan, Shandong Province, is mainly engaged in R&D, production and sales of pharmaceutical raw materials and intermediates. The research and development center is located in Jinan high-tech zone, the production base is located in Ulanqab, Inner Mongolia. The plant has 6 production workshops, covering an area of 1,000,000㎡. At present, we have passed the supplier audit from many domestic pharmaceutical enterprises and world-class pharmaceutical enterprises. Main business: pharmaceutical API and intermediate research and development, production and sales.
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