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    Chemistry

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    Also known as: 21962-45-8, 4-cyano-2-methoxybenzaldehyde, 2-methoxy-4-cyanobenzaldehyde, 4-cyaon-2-methoxybenzaldehyde, 4-formyl-3-methoxy-benzonitrile, Mfcd07779491
    Molecular Formula
    C9H7NO2
    Molecular Weight
    161.16  g/mol
    InChI Key
    ZXENVSJZOHXCKL-UHFFFAOYSA-N
    CAS 21962-45-8
    1 2D Structure

    CAS 21962-45-8

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    4-formyl-3-methoxybenzonitrile
    2.1.2 InChI
    InChI=1S/C9H7NO2/c1-12-9-4-7(5-10)2-3-8(9)6-11/h2-4,6H,1H3
    2.1.3 InChI Key
    ZXENVSJZOHXCKL-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    COC1=C(C=CC(=C1)C#N)C=O
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. 21962-45-8

    2. 4-cyano-2-methoxybenzaldehyde

    3. 2-methoxy-4-cyanobenzaldehyde

    4. 4-cyaon-2-methoxybenzaldehyde

    5. 4-formyl-3-methoxy-benzonitrile

    6. Mfcd07779491

    7. Schembl1398327

    8. Dtxsid20586553

    9. Cl8346

    10. Akos006228725

    11. Cs-w018926

    12. As-18816

    13. Sy038704

    14. 4-cyano-2-methoxybenzaldehyde, Aldrichcpr

    15. Db-045735

    16. A4705

    17. Am20030364

    18. Ns00005013

    19. Ec 804-777-4

    20. En300-6414075

    21. Z1198174338

    2.3 Create Date
    2007-08-09
    3 Chemical and Physical Properties
    Molecular Weight 161.16 g/mol
    Molecular Formula C9H7NO2
    XLogP31.3
    Hydrogen Bond Donor Count0
    Hydrogen Bond Acceptor Count3
    Rotatable Bond Count2
    Exact Mass g/mol
    Monoisotopic Mass g/mol
    Topological Polar Surface Area50.1
    Heavy Atom Count12
    Formal Charge0
    Complexity206
    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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    Shandong Chenghui Shuangda Pharmaceuti...

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    Virtual BoothShuangda Pharmaceutical has a world-class first-class production line, having GMP, FDA and other regulatory certifications.

    4-formyl-3-methoxybenzonitrile

    CAS Number : 21962-45-8

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    End Use API : Finerenone

    About the Company : Shandong Chenghui Shuangda Pharmaceutical Co., Ltd. is specialized in R&D and production of APIs and advanced intermediates. With 22 years of production experience,the company has 6 wor...

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    Shandong Chenghui Shuangd...

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    Shuangda Pharmaceutical has a world-class first-class production line, having GMP, FDA and other regulatory certifications.

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