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    CAS 122-84-9

    BUILDING BLOCK

    MARKET PLACE

    PharmaCompass
    Xls

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    2D Structure
    Also known as: 122-84-9, 1-(4-methoxyphenyl)propan-2-one, Anisketone, 2-propanone, 1-(4-methoxyphenyl)-, Anisyl methyl ketone, P-acetonylanisole
    Molecular Formula
    C10H12O2
    Molecular Weight
    164.20  g/mol
    InChI Key
    WFWKNGZODAOLEO-UHFFFAOYSA-N
    FDA UNII
    6XYW3YJJ33
    P-anisyl methyl ketone is a natural product found in Illicium verum, Clausena heptaphylla, and Pimpinella anisum with data available.
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    1-(4-methoxyphenyl)propan-2-one
    2.1.2 InChI
    InChI=1S/C10H12O2/c1-8(11)7-9-3-5-10(12-2)6-4-9/h3-6H,7H2,1-2H3
    2.1.3 InChI Key
    WFWKNGZODAOLEO-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    CC(=O)CC1=CC=C(C=C1)OC
    2.2 Other Identifiers
    2.2.1 UNII
    6XYW3YJJ33
    2.3 Synonyms
    2.3.1 Depositor-Supplied Synonyms

    1. 122-84-9

    2. 1-(4-methoxyphenyl)propan-2-one

    3. Anisketone

    4. 2-propanone, 1-(4-methoxyphenyl)-

    5. Anisyl Methyl Ketone

    6. P-acetonylanisole

    7. P-methoxyphenylacetone

    8. Anisic Ketone

    9. 1-(4-methoxyphenyl)-2-propanone

    10. 1-(p-methoxyphenyl)-2-propanone

    11. 4-methoxybenzyl Methyl Ketone

    12. P-methoxybenzyl Methyl Ketone

    13. 1-(4-methoxyphenyl)acetone

    14. 1-(p-anisyl)-2-propanone

    15. 4'-methoxyphenyl-2-propanone

    16. 2-propanone, 1-(p-methoxyphenyl)-

    17. 2-propanone, (p-methoxyphenyl)-

    18. P-anisylacetone

    19. (p-methoxyphenyl)-2-propanone

    20. Fema No. 2674

    21. Nsc 22983

    22. 1-(4-methoxy-phenyl)-propan-2-one

    23. Para-anisyl Methyl Ketone

    24. Mfcd00008773

    25. 6xyw3yjj33

    26. Nsc-22983

    27. Nsc-46101

    28. P-anisylactone

    29. Einecs 204-578-7

    30. Unii-6xyw3yjj33

    31. Brn 2044332

    32. Anisylaceton

    33. Anisyl Ketone

    34. Anisylacetone?

    35. Ai3-37913

    36. 1-(p-methoxyphenyl)-2-propanone (natural)

    37. 4-acetonylanisole

    38. P-methoxy Phenylacetone

    39. 4-methoxyphenoxyacetone

    40. 4-methoxy Phenylacetone

    41. 4-methoxyphenyl Acetone

    42. (p-methoxyphenyl)acetone

    43. 4-methoxy Phenyl Acetone

    44. Anisylmethyl Ketone

    45. Schembl48525

    46. Ghl.pd_mitscher_leg0.658

    47. 4-08-00-00460 (beilstein Handbook Reference)

    48. 4-methoxyphenyl-propan-2-one

    49. 1-(4-methoxyphenyl)acetone #

    50. Chembl473366

    51. Para-methoxyphenylacetone

    52. Dtxsid9059545

    53. 4-methoxyphenylacetone, >=97%

    54. Fema 2674

    55. Chebi:180410

    56. 1-(4'-methoxyphenyl)-2-propanone

    57. 1-(4-methoxy-phenyl)propan-2-one

    58. 1-(4-methoxyphenyl)-propan-2-one

    59. Nsc22983

    60. Nsc46101

    61. Zinc1848437

    62. 1-(4methoxy-phenyl)-propan-2-one

    63. Bbl027728

    64. Stl146340

    65. Akos000119418

    66. Ab00957

    67. Ac-5625

    68. Cs-w002045

    69. 3-(4-methoxyphenyl)-2-propanone

    70. As-12912

    71. Sy001528

    72. 1-(p-methoxyphenyl)-2-propanone, >=97%

    73. Db-003502

    74. Am20050064

    75. Ft-0618954

    76. Ft-0671146

    77. M0675

    78. 1-(p-methoxyphenyl)-2-propanone [fhfi]

    79. A804974

    80. W-108423

    81. Q27265692

    82. F0001-0359

    83. Mebeverine Hydrochloride Impurity A [ep Impurity]

    84. 915232-26-7

    2.4 Create Date
    2005-03-26
    3 Chemical and Physical Properties
    Molecular Weight 164.20 g/mol
    Molecular Formula C10H12O2
    XLogP31.6
    Hydrogen Bond Donor Count0
    Hydrogen Bond Acceptor Count2
    Rotatable Bond Count3
    Exact Mass164.083729621 g/mol
    Monoisotopic Mass164.083729621 g/mol
    Topological Polar Surface Area26.3 Ų
    Heavy Atom Count12
    Formal Charge0
    Complexity146
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1