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    3'-Methoxyacetophenone

    BUILDING BLOCK

    PharmaCompass
    Xls

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    2D Structure
    Also known as: 586-37-8, 3-methoxyacetophenone, 3-acetylanisole, 1-(3-methoxyphenyl)ethanone, M-methoxyacetophenone, Ethanone, 1-(3-methoxyphenyl)-
    Molecular Formula
    C9H10O2
    Molecular Weight
    150.17  g/mol
    InChI Key
    BAYUSCHCCGXLAY-UHFFFAOYSA-N
    FDA UNII
    1K3UR56Z4N
    M-methoxyacetophenone is a natural product found in Sesamum indicum with data available.
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    1-(3-methoxyphenyl)ethanone
    2.1.2 InChI
    InChI=1S/C9H10O2/c1-7(10)8-4-3-5-9(6-8)11-2/h3-6H,1-2H3
    2.1.3 InChI Key
    BAYUSCHCCGXLAY-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    CC(=O)C1=CC(=CC=C1)OC
    2.2 Other Identifiers
    2.2.1 UNII
    1K3UR56Z4N
    2.3 Synonyms
    2.3.1 Depositor-Supplied Synonyms

    1. 586-37-8

    2. 3-methoxyacetophenone

    3. 3-acetylanisole

    4. 1-(3-methoxyphenyl)ethanone

    5. M-methoxyacetophenone

    6. Ethanone, 1-(3-methoxyphenyl)-

    7. 1-(3-methoxyphenyl)ethan-1-one

    8. Nsc 65593

    9. Acetophenone, M-methoxy-

    10. Acetophenone, 3'-methoxy-

    11. 1-(3-methoxy-phenyl)-ethanone

    12. Mfcd00008736

    13. Meta-methoxyacetophenone

    14. 1k3ur56z4n

    15. Nsc-65593

    16. M-acetylanisole; M-methoxyacetophenone

    17. M-acetanisole

    18. 3-methoxyacetophenone (d3)

    19. 1-acetyl-3-methoxybenzene

    20. Unii-1k3ur56z4n

    21. M-acetylanisole

    22. 3-acetanisole

    23. 3-acetoanisole

    24. M-metoxyacetophenone

    25. Einecs 209-573-3

    26. M-methoxy Acetophenone

    27. 3-methoxy Acetophenone

    28. 3/'-methoxyacetophenone

    29. 3\'-methoxyacetophenone

    30. Ai3-26011

    31. 3-methoxy-1-acetylbenzene

    32. Nciopen2_000067

    33. Schembl52445

    34. Methyl 3-methoxyphenyl Ketone

    35. (3-methoxyphenyl)acetoaldehyde

    36. 1-(3-methoxyphenyl)-ethanone

    37. 3'-methoxyacetophenone, 97%

    38. 1-(3-methoxyphenyl)ethanone #

    39. Schembl12015247

    40. 1-[3-(methyloxy)phenyl]ethanone

    41. Dtxsid10207321

    42. Amy21870

    43. Nsc65593

    44. Zinc1692471

    45. Stk802448

    46. Akos000119490

    47. Cs-w020599

    48. Ps-5287

    49. Ac-10020

    50. Sy003673

    51. Db-028538

    52. Ft-0615980

    53. M0104

    54. L10020

    55. 3 Inverted Exclamation Mark -methoxyacetophenone

    56. 3'-methoxyacetophenone, Purum, >=95.0% (gc)

    57. A831958

    58. 1-(3-methoxyphenyl)ethanone;3'-methoxyacetophenone

    59. W-105375

    60. Q27252520

    61. Z54179675

    62. F0001-1530

    63. Rivastigmine Hydrogen Tartrate Impurity H [ep Impurity]

    2.4 Create Date
    2005-03-26
    3 Chemical and Physical Properties
    Molecular Weight 150.17 g/mol
    Molecular Formula C9H10O2
    XLogP31.8
    Hydrogen Bond Donor Count0
    Hydrogen Bond Acceptor Count2
    Rotatable Bond Count2
    Exact Mass150.068079557 g/mol
    Monoisotopic Mass150.068079557 g/mol
    Topological Polar Surface Area26.3 Ų
    Heavy Atom Count11
    Formal Charge0
    Complexity143
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1