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    126-81-8 manufacturers and suppliers on PharmaCompass

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    126-81-8

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    126-81-8
    Also known as: Dimedone, 126-81-8, 5,5-dimethylcyclohexane-1,3-dione, Methone, Cyclomethone, Medon
    Molecular Formula
    C8H12O2
    Molecular Weight
    140.18  g/mol
    InChI Key
    BADXJIPKFRBFOT-UHFFFAOYSA-N
    FDA UNII
    B2B5DSX2FC
    1 2D Structure

    126-81-8

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    5,5-dimethylcyclohexane-1,3-dione
    2.1.2 InChI
    InChI=1S/C8H12O2/c1-8(2)4-6(9)3-7(10)5-8/h3-5H2,1-2H3
    2.1.3 InChI Key
    BADXJIPKFRBFOT-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    CC1(CC(=O)CC(=O)C1)C
    2.2 Other Identifiers
    2.2.1 UNII
    B2B5DSX2FC
    2.3 Synonyms
    2.3.1 MeSH Synonyms

    1. 5,5-dimethylcyclohexane-1,3-dione

    2.3.2 Depositor-Supplied Synonyms

    1. Dimedone

    2. 126-81-8

    3. 5,5-dimethylcyclohexane-1,3-dione

    4. Methone

    5. Cyclomethone

    6. Medon

    7. Dimedon

    8. 1,3-cyclohexanedione, 5,5-dimethyl-

    9. Methon

    10. 5,5-dimethyldihydroresorcinol

    11. 5,5-dimethylhydroresorcinol

    12. Dimethyldihydroresorcinol

    13. 1,1-dimethyl-3,5-diketocyclohexane

    14. 1,1-dimethyl-3,5-cyclohexanedione

    15. Lu 274

    16. 5,5-dimethyl-cyclohexane-1,3-dione

    17. Mfcd00001588

    18. Nsc 14984

    19. B2b5dsx2fc

    20. 5,5-dimethyl-1,3-cyclohexandion

    21. Nsc-14984

    22. 1,5-cyclohexanedione

    23. 5,3-cyclohexanedione

    24. 5,3-dione

    25. 1,5-diketocyclohexane

    26. 1, 5,5-dimethyl-

    27. Einecs 204-804-4

    28. Unii-b2b5dsx2fc

    29. Ai3-19939

    30. 5,5'-dimethylcyclohexane-1,3-dione

    31. Ec 204-804-4

    32. Schembl123127

    33. Dtxsid8021987

    34. 5,5-dimethyl-1,3-cyclohexadione

    35. 5,5-dimethyl-1,3cyclohexanedione

    36. 5,5-dimethyl-1,3-cyclohexandione

    37. 5,5-dimethylcyclohexan-1,3-dione

    38. Nsc14984

    39. Nsc17544

    40. Nsc43759

    41. 5,5-dimethyl-1,3-dihydroresorcinol

    42. Nsc-17544

    43. Nsc-43759

    44. Nsc242994

    45. Stk365156

    46. 5, 5-dimethyl-1,3-cyclohexanedione

    47. 5,5-dimethyl-1, 3-cyclohexanedione

    48. Akos000119900

    49. Am10627

    50. Cs-w016456

    51. Hy-w015740

    52. Nsc-242994

    53. Sb15818

    54. As-14592

    55. Bp-12997

    56. Sy010547

    57. 5,5-dimethyl-1,3-cyclohexanedione, 95%

    58. D0701

    59. Ft-0625018

    60. En300-19675

    61. D70508

    62. 5,5-dimethyl-1,3-cyclohexanedione [mi]

    63. A805613

    64. Q418261

    65. 2,2 Dimethyl,1,6 Cyclohexa Dione; Dimedone

    66. Q-200991

    67. F0001-0386

    68. Z104474686

    69. Inchi=1/c8h12o2/c1-8(2)4-6(9)3-7(10)5-8/h3-5h2,1-2h

    70. 5,5-dimethyl-1,3-cyclohexanedione, For Hplc Derivatization, For The Determination Of Aldehyde Formaldehyde, >=99.0%

    2.4 Create Date
    2005-03-26
    3 Chemical and Physical Properties
    Molecular Weight 140.18 g/mol
    Molecular Formula C8H12O2
    XLogP30.8
    Hydrogen Bond Donor Count0
    Hydrogen Bond Acceptor Count2
    Rotatable Bond Count0
    Exact Mass g/mol
    Monoisotopic Mass g/mol
    Topological Polar Surface Area34.1
    Heavy Atom Count10
    Formal Charge0
    Complexity162
    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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