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    13078-21-2

    PharmaCompass
    Xls

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    2D Structure
    Also known as: Ethyl 2-(2-methoxyphenoxy)acetate, 13078-21-2, Ethyl 2-methoxyphenoxyacetate, Acetic acid, (2-methoxyphenoxy)-, ethyl ester, Fj76e63kzh, Einecs 235-977-4
    Molecular Formula
    C11H14O4
    Molecular Weight
    210.23  g/mol
    InChI Key
    BZCGGCRVJFWCIW-UHFFFAOYSA-N
    FDA UNII
    FJ76E63KZH
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    ethyl 2-(2-methoxyphenoxy)acetate
    2.1.2 InChI
    InChI=1S/C11H14O4/c1-3-14-11(12)8-15-10-7-5-4-6-9(10)13-2/h4-7H,3,8H2,1-2H3
    2.1.3 InChI Key
    BZCGGCRVJFWCIW-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    CCOC(=O)COC1=CC=CC=C1OC
    2.2 Other Identifiers
    2.2.1 UNII
    FJ76E63KZH
    2.3 Synonyms
    2.3.1 Depositor-Supplied Synonyms

    1. Ethyl 2-(2-methoxyphenoxy)acetate

    2. 13078-21-2

    3. Ethyl 2-methoxyphenoxyacetate

    4. Acetic Acid, (2-methoxyphenoxy)-, Ethyl Ester

    5. Fj76e63kzh

    6. Einecs 235-977-4

    7. Ai3-10576

    8. Unii-fj76e63kzh

    9. Ethyl-2-methoxyphenoxyacetate

    10. Schembl5318188

    11. Dtxsid40156737

    12. Albb-023455

    13. Amy18100

    14. Cs-d0564

    15. Zinc2149930

    16. Mfcd00082657

    17. Stk399864

    18. Akos000308020

    19. (2-methoxyphenoxy)acetic Acid Ethyl Este

    20. (o-methoxyphenoxy)acetic Acid Ethyl Ester

    21. Ds-15465

    22. (2-methoxyphenoxy)acetic Acid Ethyl Ester

    23. Db-041985

    24. 2-(o-methoxyphenoxy)acetic Acid Ethyl Ester

    25. E1241

    26. Ft-0608885

    27. Ft-0625752

    28. A806144

    29. Acetic Acid, 2-(2-methoxyphenoxy)-, Ethyl Ester

    2.4 Create Date
    2005-08-08
    3 Chemical and Physical Properties
    Molecular Weight 210.23 g/mol
    Molecular Formula C11H14O4
    XLogP31.7
    Hydrogen Bond Donor Count0
    Hydrogen Bond Acceptor Count4
    Rotatable Bond Count6
    Exact Mass210.08920892 g/mol
    Monoisotopic Mass210.08920892 g/mol
    Topological Polar Surface Area44.8 Ų
    Heavy Atom Count15
    Formal Charge0
    Complexity193
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1