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    CAS 589-92-4 manufacturers and suppliers on PharmaCompass

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    4methylcyclohexanone

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    4methylcyclohexanone
    Also known as: 589-92-4, 4-methylcyclohexan-1-one, Cyclohexanone, 4-methyl-, 4-methyl-1-cyclohexanone, Methylcyclohexanone, Metylocykloheksanon
    Molecular Formula
    C7H12O
    Molecular Weight
    112.17  g/mol
    InChI Key
    VGVHNLRUAMRIEW-UHFFFAOYSA-N
    FDA UNII
    0L1R78K79S
    1 2D Structure

    4methylcyclohexanone

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    4-methylcyclohexan-1-one
    2.1.2 InChI
    InChI=1S/C7H12O/c1-6-2-4-7(8)5-3-6/h6H,2-5H2,1H3
    2.1.3 InChI Key
    VGVHNLRUAMRIEW-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    CC1CCC(=O)CC1
    2.2 Other Identifiers
    2.2.1 UNII
    0L1R78K79S
    2.3 Synonyms
    2.3.1 Depositor-Supplied Synonyms

    1. 589-92-4

    2. 4-methylcyclohexan-1-one

    3. Cyclohexanone, 4-methyl-

    4. 4-methyl-1-cyclohexanone

    5. Methylcyclohexanone

    6. Metylocykloheksanon

    7. Methyl-4 Cyclohexanone-1

    8. Tetrahydro-p-cresol

    9. P-methyl Cyclohexanone

    10. Methycyclohexanone

    11. 4-methyl Cyclohexanone

    12. 4-methyl-cyclohexanone

    13. Cyclohexanone,4-methyl

    14. 1331-22-2

    15. 0l1r78k79s

    16. Nsc-3816

    17. Cyclohexanone, Methyl-

    18. Methyl-4 Cyclohexanone-1 [french]

    19. Nsc 3816

    20. Einecs 209-665-3

    21. Brn 0506746

    22. Metylocykloheksanon [polish]

    23. Unii-0l1r78k79s

    24. Ai3-15916

    25. 4methylcyclohexanone

    26. Methyl-cyclohexanone

    27. Einecs 215-556-1

    28. Un2297

    29. 4-methylcyclohexane-1-one

    30. 4-methyl-cyclohexan-1-one

    31. Methylcyclohexanone [un2297] [flammable Liquid]

    32. 4-methylcyclohexanone, 99%

    33. 4-07-00-00044 (beilstein Handbook Reference)

    34. Schembl104009

    35. 4-methylcyclohexanone, >=99%

    36. Dtxsid5060435

    37. Fema No. 3948

    38. Fema 3948

    39. Nsc3816

    40. Amy17977

    41. Bcp26110

    42. Zinc3861284

    43. 4-methylcyclohexanone [fhfi]

    44. Mfcd00001643

    45. Stl163959

    46. Akos000118729

    47. Ps-5543

    48. Ft-0619075

    49. M0199

    50. P20542

    51. A832099

    52. Methylcyclohexanone [un2297] [flammable Liquid]

    53. Cyclohexanone, 4-methyl-;4-methyl-1-cyclohexanone

    54. J-515780

    55. Q22138343

    56. Z57073963

    57. F0001-1540

    58. Ethyl?4-(trifluoromethylsulfonyloxy)cyclohex-3-enecarboxylate

    2.4 Create Date
    2005-03-26
    3 Chemical and Physical Properties
    Molecular Weight 112.17 g/mol
    Molecular Formula C7H12O
    XLogP31.4
    Hydrogen Bond Donor Count0
    Hydrogen Bond Acceptor Count1
    Rotatable Bond Count0
    Exact Mass112.088815002 g/mol
    Monoisotopic Mass112.088815002 g/mol
    Topological Polar Surface Area17.1 Ų
    Heavy Atom Count8
    Formal Charge0
    Complexity86.6
    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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