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    CAS 22502-03-0 manufacturers and suppliers on PharmaCompass

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    CAS 22502-03-0

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    CAS 22502-03-0
    Also known as: 2-methoxyethyl 3-oxobutanoate, 22502-03-0, 2-methoxyethylacetoacetate, Acetoacetic acid 2-methoxyethyl ester, Butanoic acid, 3-oxo-, 2-methoxyethyl ester, Mfcd00009648
    Molecular Formula
    C7H12O4
    Molecular Weight
    160.17  g/mol
    InChI Key
    PLHCSZRZWOWUBW-UHFFFAOYSA-N
    FDA UNII
    FN4CYZ9PV8
    1 2D Structure

    CAS 22502-03-0

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    2-methoxyethyl 3-oxobutanoate
    2.1.2 InChI
    InChI=1S/C7H12O4/c1-6(8)5-7(9)11-4-3-10-2/h3-5H2,1-2H3
    2.1.3 InChI Key
    PLHCSZRZWOWUBW-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    CC(=O)CC(=O)OCCOC
    2.2 Other Identifiers
    2.2.1 UNII
    FN4CYZ9PV8
    2.3 Synonyms
    2.3.1 Depositor-Supplied Synonyms

    1. 2-methoxyethyl 3-oxobutanoate

    2. 22502-03-0

    3. 2-methoxyethylacetoacetate

    4. Acetoacetic Acid 2-methoxyethyl Ester

    5. Butanoic Acid, 3-oxo-, 2-methoxyethyl Ester

    6. Mfcd00009648

    7. Fn4cyz9pv8

    8. Einecs 245-043-8

    9. Methoxyethyl Acetoacetate

    10. Unii-fn4cyz9pv8

    11. Ec 245-043-8

    12. 2-methyoxyethyl Acetoacetate

    13. 2-methoxyethyl3-oxobutanoate

    14. 2-methoxyethyl-3-oxobutanoate

    15. Schembl410988

    16. 2-methoxyethyl 3-oxobutanoate #

    17. Dtxsid20177026

    18. Amy25617

    19. Bcp21149

    20. Akos000120251

    21. Cs-w016168

    22. As-59795

    23. Sy049972

    24. Ft-0612839

    25. Ft-0621770

    26. En300-20225

    27. J-014741

    28. F0001-0791

    29. 2-methoxyethyl Acetoacetate, Lonza Quality, >=97.5% (gc)

    2.4 Create Date
    2005-03-27
    3 Chemical and Physical Properties
    Molecular Weight 160.17 g/mol
    Molecular Formula C7H12O4
    XLogP3-0.3
    Hydrogen Bond Donor Count0
    Hydrogen Bond Acceptor Count4
    Rotatable Bond Count6
    Exact Mass g/mol
    Monoisotopic Mass g/mol
    Topological Polar Surface Area52.6
    Heavy Atom Count11
    Formal Charge0
    Complexity141
    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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