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    CAS 91526-18-0

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    CAS 91526-18-0
    Also known as: 91526-18-0, 1,3-dioxol-2-one, 4-(hydroxymethyl)-5-methyl-, 4-hydroxymethyl-5-methyl-1,3-dioxol-2-one, 4-hydroxymethyl-5-methyl-[1,3]dioxol-2-one, Schembl26415, Dtxsid10440953
    Molecular Formula
    C5H6O4
    Molecular Weight
    130.10  g/mol
    InChI Key
    JEQSUJXHFAXJOW-UHFFFAOYSA-N
    1 2D Structure

    CAS 91526-18-0

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    4-(hydroxymethyl)-5-methyl-1,3-dioxol-2-one
    2.1.2 InChI
    InChI=1S/C5H6O4/c1-3-4(2-6)9-5(7)8-3/h6H,2H2,1H3
    2.1.3 InChI Key
    JEQSUJXHFAXJOW-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    CC1=C(OC(=O)O1)CO
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. 91526-18-0

    2. 1,3-dioxol-2-one, 4-(hydroxymethyl)-5-methyl-

    3. 4-hydroxymethyl-5-methyl-1,3-dioxol-2-one

    4. 4-hydroxymethyl-5-methyl-[1,3]dioxol-2-one

    5. Schembl26415

    6. Dtxsid10440953

    7. Bcp13029

    8. Mfcd12165896

    9. Zinc38972853

    10. Akos015995479

    11. Cs-w004926

    12. Sb41037

    13. Ac-25908

    14. Da-17039

    15. Ds-14496

    16. Ft-0696490

    17. 4-hydroxymethyl-5-methyl-1,3-dioxolen-2-one

    18. 4-hydroxymethyl-5-methyl-2-oxo-1,3-dioxole

    19. 4-(hydroxymethyl)-5-methyl-l,3-dioxol-2-one

    20. 5-methyl-4-hydroxymethyl-2-oxo-1,3-dioxolene

    21. (5-methyl-2-oxo-1,3-dioxolen-4-yl)methyl Alcohol

    22. J-520489

    2.3 Create Date
    2006-10-25
    3 Chemical and Physical Properties
    Molecular Weight 130.10 g/mol
    Molecular Formula C5H6O4
    XLogP3-0.2
    Hydrogen Bond Donor Count1
    Hydrogen Bond Acceptor Count4
    Rotatable Bond Count1
    Exact Mass130.02660867 g/mol
    Monoisotopic Mass130.02660867 g/mol
    Topological Polar Surface Area55.8 Ų
    Heavy Atom Count9
    Formal Charge0
    Complexity170
    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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