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    CAS 122-00-9
    Also known as: 122-00-9, 1-(p-tolyl)ethanone, P-methylacetophenone, 1-(4-methylphenyl)ethanone, 1-p-tolylethanone, 4-methylacetophenone
    Molecular Formula
    C9H10O
    Molecular Weight
    134.17  g/mol
    InChI Key
    GNKZMNRKLCTJAY-UHFFFAOYSA-N
    FDA UNII
    AX66V0KX3Y
    4-Methylacetophenone is a metabolite found in or produced by Saccharomyces cerevisiae.
    1 2D Structure

    CAS 122-00-9

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    1-(4-methylphenyl)ethanone
    2.1.2 InChI
    InChI=1S/C9H10O/c1-7-3-5-9(6-4-7)8(2)10/h3-6H,1-2H3
    2.1.3 InChI Key
    GNKZMNRKLCTJAY-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    CC1=CC=C(C=C1)C(=O)C
    2.2 Other Identifiers
    2.2.1 UNII
    AX66V0KX3Y
    2.3 Synonyms
    2.3.1 MeSH Synonyms

    1. P-methylacetophenone

    2.3.2 Depositor-Supplied Synonyms

    1. 122-00-9

    2. 1-(p-tolyl)ethanone

    3. P-methylacetophenone

    4. 1-(4-methylphenyl)ethanone

    5. 1-p-tolylethanone

    6. 4-methylacetophenone

    7. Melilotal

    8. P-methyl Acetophenone

    9. Methyl P-tolyl Ketone

    10. P-acetyltoluene

    11. Ethanone, 1-(4-methylphenyl)-

    12. P-acetotoluene

    13. 4-acetyltoluene

    14. 1-acetyl-4-methylbenzene

    15. Acetophenone, 4'-methyl-

    16. 1-methyl-4-acetylbenzene

    17. 4-methylphenyl Methyl Ketone

    18. 1-(4-methylphenyl)ethan-1-one

    19. Fema No. 2677

    20. 1-p-tolyl-ethanone

    21. Nsc 9401

    22. Para-methyl Acetophenone

    23. Para-methyl-acetophenone

    24. Para Methyl Acetophenone

    25. Mfcd00008751

    26. Ax66v0kx3y

    27. (4-methylphenyl) Methyl Ketone

    28. Nsc-9401

    29. Tolyl Methyl Ketone, P-

    30. Einecs 204-514-8

    31. Unii-ax66v0kx3y

    32. Esberiven

    33. Melilot

    34. Yellow Melilot

    35. Sweet Clover

    36. Ai3-00734

    37. Para-acetotoluene

    38. Fema 2677

    39. 4-tolylmethylketone

    40. Yellow Sweet Clover

    41. 4-methylacteophenone

    42. P- Methylacetophenone

    43. P-methyl-acetophenone

    44. Nchem.328-comp4a

    45. 4-methyl Acetophenone

    46. P-tolyl Methyl Ketone

    47. P- Methyl Acetophenone

    48. 4'-methyl-acetophenone

    49. 1-(p-tolyl)-ethanone

    50. 4'-methyl Acetophenone

    51. 4\'-methylacetophenone

    52. (4-methylphenyl)ethanone

    53. Ec 204-514-8

    54. Dsstox_cid_24374

    55. Dsstox_rid_80180

    56. Dsstox_gsid_44374

    57. Schembl55409

    58. Methyl-p-tolyl Ketone

    59. 1-(4-methylphenyl)-ethanone

    60. 4'-methylacetophenone, 95%

    61. Wln: 1vr D1

    62. 1-(4-methylphenyl)ethanone #

    63. Chembl271871

    64. Dtxsid9044374

    65. 1-(4-methylphenyl)-1-ethanone

    66. Nsc9401

    67. Chebi:178626

    68. 1-(4-methylphenyl)ethanone, 9ci

    69. Amy40157

    70. Zinc1699969

    71. 4-methyl Acetophenone [fcc]

    72. Tox21_302023

    73. P-methyl Acetophenone [inci]

    74. Stl146461

    75. 4'-methylacetophenone [fhfi]

    76. Akos000119027

    77. Cs-w013369

    78. Hy-w012653

    79. Ncgc00255943-01

    80. Ac-26823

    81. As-12910

    82. Cas-122-00-9

    83. 4'-methylacetophenone, Analytical Standard

    84. 4'-methylacetophenone, >=95%, Fcc, Fg

    85. Db-012815

    86. Ft-0619054

    87. M0135

    88. D70502

    89. 4'-methylacetophenone, Purum, >=96.0% (gc)

    90. Q2816673

    91. W-108442

    92. 4'-methylacetophenone, Vetec(tm) Reagent Grade, 94%

    93. Z57127458

    94. F9995-0065

    2.4 Create Date
    2005-03-26
    3 Chemical and Physical Properties
    Molecular Weight 134.17 g/mol
    Molecular Formula C9H10O
    XLogP32.1
    Hydrogen Bond Donor Count0
    Hydrogen Bond Acceptor Count1
    Rotatable Bond Count1
    Exact Mass134.073164938 g/mol
    Monoisotopic Mass134.073164938 g/mol
    Topological Polar Surface Area17.1 Ų
    Heavy Atom Count10
    Formal Charge0
    Complexity121
    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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