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    Also known as: 65193-87-5, 2-cyanoethyl 3-oxobutyrate, 2-cyanoethyl acetoacetate, 3-bromopropionaldehydedimethylacetal, Mfcd24687999, Cyanoethyl acetoacetate
    Molecular Formula
    C7H9NO3
    Molecular Weight
    155.15  g/mol
    InChI Key
    SWJVFAOGXDGTCX-UHFFFAOYSA-N
    FDA UNII
    9HMM9GC4TW
    CAS 65193-87-5
    1 2D Structure

    CAS 65193-87-5

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    2-cyanoethyl 3-oxobutanoate
    2.1.2 InChI
    InChI=1S/C7H9NO3/c1-6(9)5-7(10)11-4-2-3-8/h2,4-5H2,1H3
    2.1.3 InChI Key
    SWJVFAOGXDGTCX-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    CC(=O)CC(=O)OCCC#N
    2.2 Other Identifiers
    2.2.1 UNII
    9HMM9GC4TW
    2.3 Synonyms
    2.3.1 Depositor-Supplied Synonyms

    1. 65193-87-5

    2. 2-cyanoethyl 3-oxobutyrate

    3. 2-cyanoethyl Acetoacetate

    4. 3-bromopropionaldehydedimethylacetal

    5. Mfcd24687999

    6. Cyanoethyl Acetoacetate

    7. Butanoic Acid, 3-oxo-, 2-cyanoethyl Ester

    8. 2-cyanoethyl3-oxobutyrate

    9. 9hmm9gc4tw

    10. 2-cyanoethy 3-oxobutanoate

    11. Beta-cyanoethyl Acetoacetate

    12. (2-cyanoethyl) Acetoacetate

    13. (2-cyanoethyl) 3-oxobutanoate

    14. Schembl2566244

    15. Swjvfaogxdgtcx-uhfffaoysa-n

    16. Ac1591

    17. Akos024462966

    18. Cs-12346

    19. Sy047108

    20. Db-104546

    21. Cs-0088550

    22. En300-342542

    23. A867712

    2.4 Create Date
    2007-02-07
    3 Chemical and Physical Properties
    Molecular Weight 155.15 g/mol
    Molecular Formula C7H9NO3
    XLogP3-0.4
    Hydrogen Bond Donor Count0
    Hydrogen Bond Acceptor Count4
    Rotatable Bond Count5
    Exact Mass g/mol
    Monoisotopic Mass g/mol
    Topological Polar Surface Area67.2
    Heavy Atom Count11
    Formal Charge0
    Complexity201
    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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    Virtual BoothChina's leading API and intermediate manufacturer, offering CMO/CDMO services and exports to 70+ countries, enhancing global health.

    2-cyanoethylacetoacetate

    CAS Number : 65193-87-5

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    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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    02

    Ami Organics Private Limited

    2-CYANOETHYL-3-OXOBUTANOATE
    Peptide Process CMC
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    Ami Organics Private Limited

    India
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    Peptide Process CMC
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    2-CYANOETHYL-3-OXOBUTANOATE

    CAS Number : 65193-87-5

    End Use API :

    End Use API : Finerenone

    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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