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    CAS 37830-90-3

    PharmaCompass
    Xls

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    2D Structure
    Also known as: 37830-90-3, 1,3-dioxol-2-one,4,5-dimethyl-, 1,3-dioxol-2-one, 4,5-dimethyl-, 4,5-dimethyl-1,3-dioxolen-2-one, Dimethylvinylene carbonate, 4,5-dimethyl-[1,3]dioxol-2-one
    Molecular Formula
    C5H6O3
    Molecular Weight
    114.10  g/mol
    InChI Key
    QYIOFABFKUOIBV-UHFFFAOYSA-N
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    4,5-dimethyl-1,3-dioxol-2-one
    2.1.2 InChI
    InChI=1S/C5H6O3/c1-3-4(2)8-5(6)7-3/h1-2H3
    2.1.3 InChI Key
    QYIOFABFKUOIBV-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    CC1=C(OC(=O)O1)C
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. 37830-90-3

    2. 1,3-dioxol-2-one,4,5-dimethyl-

    3. 1,3-dioxol-2-one, 4,5-dimethyl-

    4. 4,5-dimethyl-1,3-dioxolen-2-one

    5. Dimethylvinylene Carbonate

    6. 4,5-dimethyl-[1,3]dioxol-2-one

    7. Mfcd00135139

    8. Dimethyldioxolone

    9. Schembl27696

    10. Qyiofabfkuoibv-uhfffaoysa-

    11. Dtxsid70958862

    12. 4,5-dimethyl-1,3-dioxole-2-one

    13. 4,5-dimethyl-2-oxo-1,3-dioxole

    14. Act08015

    15. Zinc2504803

    16. 4,5-dimethyl-1,3-dioxolene-2-one

    17. 4,5-dimethyl-2-oxo-1,3-dioxolene

    18. 4,5-dimethyl-1,3-dioxol-2-one #

    19. Akos003382144

    20. 4,5-dimethyl-2h-1,3-dioxol-2-one

    21. Ac-1826

    22. Cs-w013644

    23. Sb41033

    24. As-10965

    25. Sy021193

    26. 4,5-dimethyl-1,3-dioxolen-2-one(ddo)

    27. 4,5-dimethyl-1,3-dioxolen-3-one(dmdo)

    28. Db-002553

    29. A6444

    30. D1920

    31. Ft-0639416

    32. 830d903

    33. J-514098

    2.3 Create Date
    2005-03-27
    3 Chemical and Physical Properties
    Molecular Weight 114.10 g/mol
    Molecular Formula C5H6O3
    XLogP31
    Hydrogen Bond Donor Count0
    Hydrogen Bond Acceptor Count3
    Rotatable Bond Count0
    Exact Mass114.031694049 g/mol
    Monoisotopic Mass114.031694049 g/mol
    Topological Polar Surface Area35.5 Ų
    Heavy Atom Count8
    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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