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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

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    Shandong Chenghui Shuangda Pharmaceuti...

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    4-formyl-3-methoxybenzonitrile

    CAS Number : 21962-45-8

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    About the Company : Shandong Chenghui Shuangda Pharmaceutical Co., Ltd. specializes in API and advanced intermediate R&D and manufacturing, delivering comprehensive CDMO/CRO/OEM services and Finished Formu...

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    4 - Cyano- 2 - methoxybenzaldehyde

    CAS Number : 21962-45-8

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    Ami Organics Private Limited

    4-CYANO-2-METHOXYBENZALDEHYDE
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    4-CYANO-2-METHOXYBENZALDEHYDE

    CAS Number : 21962-45-8

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    About the Company : Founded with a mission to transform strategic capital into specialty chemicals, Ami Group focuses on Agrochemicals, Cosmetics, and Polymers. Ami Organics Ltd. is committed to meeting yo...

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    Guangzhou AANpharm Technology

    4-Cyano-2-methoxybenzaldehyde
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    4-Cyano-2-methoxybenzaldehyde

    CAS Number : 21962-45-8

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    About the Company : Guangzhou AANpharm Technology is a science-driven producer of key starting materials, pharmaceutical intermediates and specialty chemicals for CDMOs, API manufacturers and biotech innov...

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