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    Technical details about CAS 52133-67-2, learn more about the structure, uses, toxicity, action, side effects and more

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    CAS 52133-67-2

    BUILDING BLOCK

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    2D Structure
    Also known as: 52133-67-2, Ethyl 2-cyano-4,4-diethoxybutanoate, Ethyl 2,2-diethoxyethylcyanoacetate, Butanoic acid, 2-cyano-4,4-diethoxy-, ethyl ester, Mfcd02094250, Ethyl-2,2-diethoxythylcyanoacetate
    Molecular Formula
    C11H19NO4
    Molecular Weight
    229.27  g/mol
    InChI Key
    AHKACZDKUNMFBD-UHFFFAOYSA-N
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    ethyl 2-cyano-4,4-diethoxybutanoate
    2.1.2 InChI
    InChI=1S/C11H19NO4/c1-4-14-10(15-5-2)7-9(8-12)11(13)16-6-3/h9-10H,4-7H2,1-3H3
    2.1.3 InChI Key
    AHKACZDKUNMFBD-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    CCOC(CC(C#N)C(=O)OCC)OCC
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. 52133-67-2

    2. Ethyl 2-cyano-4,4-diethoxybutanoate

    3. Ethyl 2,2-diethoxyethylcyanoacetate

    4. Butanoic Acid, 2-cyano-4,4-diethoxy-, Ethyl Ester

    5. Mfcd02094250

    6. Ethyl-2,2-diethoxythylcyanoacetate

    7. Ethyl-2-cyano-4,4-diethoxybutanoide

    8. 2-cyano-4,4-diethoxy-butyric Acid Ethyl Ester

    9. Schembl124942

    10. Dtxsid90399970

    11. Act02948

    12. Amy31942

    13. Cs-m3533

    14. Ab2838

    15. Ethyl-2-cyano-4,4-diethoxybutanoate

    16. Ethyl=2-cyano-4,4-diethoxybutanoate

    17. Ethyl 2-cyano-4,4-diethoxybutyrate?

    18. Akos000281353

    19. Akos016842411

    20. Pb29184

    21. Ac-25498

    22. As-15760

    23. Sy029877

    24. Db-007478

    25. Ft-0640047

    26. Ethyl Alpha-cyano-gamma,gamma-diethoxybutyrate

    27. 2-cyano-4,4-diethoxy Butyric Acid Ethyl Ester

    28. 133e672

    29. A828944

    30. J-520748

    31. Ethyl 2-cyano-4,4-diethoxy-butanoate;ethyl 2-cyano-4,4-diethoxybutyrate

    2.3 Create Date
    2005-09-13
    3 Chemical and Physical Properties
    Molecular Weight 229.27 g/mol
    Molecular Formula C11H19NO4
    XLogP31.4
    Hydrogen Bond Donor Count0
    Hydrogen Bond Acceptor Count5
    Rotatable Bond Count9
    Exact Mass229.13140809 g/mol
    Monoisotopic Mass229.13140809 g/mol
    Topological Polar Surface Area68.6 Ų
    Heavy Atom Count16
    Formal Charge0
    Complexity240
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count1
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1