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    Technical details about MolPort-001-785-639, learn more about the structure, uses, toxicity, action, side effects and more

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    MolPort-001-785-639

    APIs // Active Pharmaceutical Ingredients

    PRICE INFORMATION

    PharmaCompass

    Minakem offers CDMO services for API & HPAPI, generics, regulatory expertise, track record performance & FDA & GMP certifications.

    ChemWerth works in generic API development & supply, non-infringement patent strategy development and regulatory support.

    2D Structure
    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
    1 2D Structure

    2D Structure

    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
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