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    CAS 22409-91-2

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    CAS 22409-91-2
    Also known as: Ethyl 3-phenoxypropanoate, 22409-91-2, Nsc406928, Propanoic acid, 3-phenoxy-ethyl ester, Ethyl3-phenoxypropanoate, Schembl38664
    Molecular Formula
    C11H14O3
    Molecular Weight
    194.23  g/mol
    InChI Key
    TXKJOPXGYSFUNC-UHFFFAOYSA-N
    1 2D Structure

    CAS 22409-91-2

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    ethyl 3-phenoxypropanoate
    2.1.2 InChI
    InChI=1S/C11H14O3/c1-2-13-11(12)8-9-14-10-6-4-3-5-7-10/h3-7H,2,8-9H2,1H3
    2.1.3 InChI Key
    TXKJOPXGYSFUNC-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    CCOC(=O)CCOC1=CC=CC=C1
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. Ethyl 3-phenoxypropanoate

    2. 22409-91-2

    3. Nsc406928

    4. Propanoic Acid, 3-phenoxy-ethyl Ester

    5. Ethyl3-phenoxypropanoate

    6. Schembl38664

    7. Dtxsid50324526

    8. Txkjopxgysfunc-uhfffaoysa-n

    9. Amy25615

    10. Mfcd00026919

    11. Akos007930362

    12. Nsc-406928

    13. Propanoic Acid, 3-phenoxy-, Ethyl Ester

    14. As-58619

    15. Db-045903

    16. A816183

    17. J-014693

    2.3 Create Date
    2005-03-26
    3 Chemical and Physical Properties
    Molecular Weight 194.23 g/mol
    Molecular Formula C11H14O3
    XLogP32.1
    Hydrogen Bond Donor Count0
    Hydrogen Bond Acceptor Count3
    Rotatable Bond Count6
    Exact Mass g/mol
    Monoisotopic Mass g/mol
    Topological Polar Surface Area35.5
    Heavy Atom Count14
    Formal Charge0
    Complexity162
    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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      Ethyl 3- Phenoxypropionate

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      Blue Jet Healthcare is a global, science-driven pharmaceutical company specializing in collaboration, dev...
      Blue Jet Healthcare is a global, science-driven pharmaceutical company specializing in collaboration, development, and manufacturing of advanced pharmaceutical intermediates and APIs. With 53 years of history, our expertise has significantly expanded, covering development, scale-up, and commercialization, now extending to contract development. Thanks to our consistent pipeline delivery and commercial execution, we have established long-term, extensive relationships with our customers.
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