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    Chemistry

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    Also known as: 2-acetoxyacetic acid, 13831-30-6, 2-acetyloxyacetic acid, Acetic acid, (acetyloxy)-, Acetic acid, 2-(acetyloxy)-, Acetoxuacetic acid
    Molecular Formula
    C4H6O4
    Molecular Weight
    118.09  g/mol
    InChI Key
    MLXDUYUQINCFFV-UHFFFAOYSA-N
    FDA UNII
    YMD9TFB2PG
    Acetoxyacetic Acid
    1 2D Structure

    Acetoxyacetic Acid

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    2-acetyloxyacetic acid
    2.1.2 InChI
    InChI=1S/C4H6O4/c1-3(5)8-2-4(6)7/h2H2,1H3,(H,6,7)
    2.1.3 InChI Key
    MLXDUYUQINCFFV-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    CC(=O)OCC(=O)O
    2.2 Other Identifiers
    2.2.1 UNII
    YMD9TFB2PG
    2.3 Synonyms
    2.3.1 Depositor-Supplied Synonyms

    1. 2-acetoxyacetic Acid

    2. 13831-30-6

    3. 2-acetyloxyacetic Acid

    4. Acetic Acid, (acetyloxy)-

    5. Acetic Acid, 2-(acetyloxy)-

    6. Acetoxuacetic Acid

    7. (acetyloxy)acetic Acid

    8. Glycolic Acid, Acetate

    9. Ymd9tfb2pg

    10. Nsc-72984

    11. Unii-ymd9tfb2pg

    12. 2-acetoxyaceticacid

    13. Acetoxy Acetic Acid

    14. Einecs 237-541-9

    15. O-acetylglycolic Acid

    16. Alpha-acetoxyacetic Acid

    17. Substrate Analogue, 13

    18. 2-(acetyloxy)acetic Acid

    19. Acetoxyacetic Acid, 99%

    20. .alpha.-acetoxyacetic Acid

    21. 2-hydroxyacetic Acid Acetata

    22. Schembl226224

    23. Chembl2207139

    24. Bdbm82195

    25. Amy3826

    26. Dtxsid60160578

    27. Bcp32586

    28. Nsc72984

    29. Zinc1698817

    30. Mfcd00011551

    31. Nsc 72984

    32. Akos001044291

    33. Ds-2480

    34. Db-042423

    35. Cs-0155005

    36. Ft-0636968

    37. En300-24991

    38. D81772

    39. Acetic Acid, (acetyloxy)-;2-acetoxyacetic Acid

    40. 831a306

    41. A886265

    42. J-007116

    43. Q27294593

    2.4 Create Date
    2005-03-26
    3 Chemical and Physical Properties
    Molecular Weight 118.09 g/mol
    Molecular Formula C4H6O4
    XLogP3-0.3
    Hydrogen Bond Donor Count1
    Hydrogen Bond Acceptor Count4
    Rotatable Bond Count3
    Exact Mass118.02660867 g/mol
    Monoisotopic Mass118.02660867 g/mol
    Topological Polar Surface Area63.6 Ų
    Heavy Atom Count8
    Formal Charge0
    Complexity107
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1

    API Reference Price

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    31-Aug-2022
    30-Sep-2022
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