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    Technical details about CAS 40834-42-2, learn more about the structure, uses, toxicity, action, side effects and more

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    CAS 40834-42-2

    BUILDING BLOCK

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    2D Structure
    Also known as: 40834-42-2, 5-hydroxy-4-methyl-2(5h)furanone, 5-hydroxy-4-methyl-2(5h)-furanone, 2-hydroxy-3-methyl-2h-furan-5-one, 2(5h)-furanone, 5-hydroxy-4-methyl-, 5-hydroxy-4-methyl-2,5-dihydrofuran-2-one
    Molecular Formula
    C5H6O3
    Molecular Weight
    114.10  g/mol
    InChI Key
    XRNPHZPFAWLRNJ-UHFFFAOYSA-N
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    2-hydroxy-3-methyl-2H-furan-5-one
    2.1.2 InChI
    InChI=1S/C5H6O3/c1-3-2-4(6)8-5(3)7/h2,5,7H,1H3
    2.1.3 InChI Key
    XRNPHZPFAWLRNJ-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    CC1=CC(=O)OC1O
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. 40834-42-2

    2. 5-hydroxy-4-methyl-2(5h)furanone

    3. 5-hydroxy-4-methyl-2(5h)-furanone

    4. 2-hydroxy-3-methyl-2h-furan-5-one

    5. 2(5h)-furanone, 5-hydroxy-4-methyl-

    6. 5-hydroxy-4-methyl-2,5-dihydrofuran-2-one

    7. Mfcd07782086

    8. 5-hydroxy-4-methyl-2[5h]-furanone

    9. 5-hydroxy-4-methyl-5h-furan-2-one

    10. 4-methyl-5-hydroxy-2(5h)-furanone

    11. Ec 609-869-6

    12. Schembl363396

    13. 4-hydroxy-3-methylbut-2-enolide

    14. Dtxsid30961251

    15. Act02807

    16. Amy11083

    17. Bcp22811

    18. Ac-505

    19. Geo-03047

    20. 4-methyl-5-hydroxyfuran-2(5h)-one

    21. Akos006284931

    22. Bcp9000185

    23. Ds-1694

    24. Sb40605

    25. Sy104829

    26. Db-029160

    27. Cs-0050459

    28. Ft-0601904

    29. 834h422

    30. A825305

    31. J-509619

    32. 2(5h)-furanone, 5-hydroxy-4-methyl (intermediates Of Isotretinoin)

    2.3 Create Date
    2005-08-08
    3 Chemical and Physical Properties
    Molecular Weight 114.10 g/mol
    Molecular Formula C5H6O3
    XLogP3-0.4
    Hydrogen Bond Donor Count1
    Hydrogen Bond Acceptor Count3
    Rotatable Bond Count0
    Exact Mass114.031694049 g/mol
    Monoisotopic Mass114.031694049 g/mol
    Topological Polar Surface Area46.5 Ų
    Heavy Atom Count8
    Formal Charge0
    Complexity148
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count1
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1