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    Technical details about CAS 553-90-2, learn more about the structure, uses, toxicity, action, side effects and more

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    CAS 553-90-2

    Manufacturers/Suppliers

    PharmaCompass

    Symbiotec: Global API manufacturer, specializing in Cortico-Steroids & Steroid-Hormone APIs.

    Metrochem has been delivering customized volume & quality products to customers across the world, taking utmost care of their needs.

    2D Structure
    1. Also known as: 553-90-2, Ethanedioic acid, dimethyl ester, Methyl oxalate, Oxalic acid dimethyl ester, Oxalic acid, dimethyl ester, Dimethyl ethanedioate
    Molecular Formula
    C4H6O4
    Molecular Weight
    118.09  g/mol
    InChI Key
    LOMVENUNSWAXEN-UHFFFAOYSA-N
    FDA UNII
    IQ3Q79344S
    dimethyl oxalate is a natural product found in Astragalus mongholicus and Astragalus membranaceus with data available.
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    dimethyl oxalate
    2.1.2 InChI
    InChI=1S/C4H6O4/c1-7-3(5)4(6)8-2/h1-2H3
    2.1.3 InChI Key
    LOMVENUNSWAXEN-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    COC(=O)C(=O)OC
    2.2 Other Identifiers
    2.2.1 UNII
    IQ3Q79344S
    2.3 Synonyms
    2.3.1 Depositor-Supplied Synonyms

    1. 553-90-2

    2. Ethanedioic Acid, Dimethyl Ester

    3. Methyl Oxalate

    4. Oxalic Acid Dimethyl Ester

    5. Oxalic Acid, Dimethyl Ester

    6. Dimethyl Ethanedioate

    7. Iq3q79344s

    8. Nsc-9374

    9. Ethanedioic Acid, 1,2-dimethyl Ester

    10. Dimethyl Ester Of Oxalic Acid

    11. Nsc 9374

    12. Einecs 209-053-6

    13. Mfcd00008442

    14. Unii-iq3q79344s

    15. Ai3-21214

    16. Oxalic Acid Dimethyl

    17. Schembl8295

    18. Methyl Oxalate [mi]

    19. Chebi:6859

    20. Dimethyl Oxalate [inci]

    21. Dtxsid9060287

    22. Nsc9374

    23. Amy37133

    24. Zinc1532047

    25. Bbl011507

    26. Stl146620

    27. Akos000269022

    28. Dimethyl Oxalate, Reagentplus(r), 99%

    29. As-12646

    30. Ft-0625150

    31. O0080

    32. En300-20093

    33. E78838

    34. Dimethyl Oxalate, Vetec(tm) Reagent Grade, 98%

    35. A830619

    36. Q412931

    37. Q-200995

    38. F0001-1452

    2.4 Create Date
    2005-03-26
    3 Chemical and Physical Properties
    Molecular Weight 118.09 g/mol
    Molecular Formula C4H6O4
    XLogP3-0.2
    Hydrogen Bond Donor Count0
    Hydrogen Bond Acceptor Count4
    Rotatable Bond Count3
    Exact Mass118.02660867 g/mol
    Monoisotopic Mass118.02660867 g/mol
    Topological Polar Surface Area52.6 Ų
    Heavy Atom Count8
    Formal Charge0
    Complexity92.6
    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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