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    Technical details about CAS 941-98-0, learn more about the structure, uses, toxicity, action, side effects and more

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    CAS 941-98-0

    BUILDING BLOCK

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    2D Structure
    Also known as: 941-98-0, 1-acetonaphthone, 1-acetylnaphthalene, Methyl 1-naphthyl ketone, 1-acetonaphthalene, Ethanone, 1-(1-naphthalenyl)-
    Molecular Formula
    C12H10O
    Molecular Weight
    170.21  g/mol
    InChI Key
    QQLIGMASAVJVON-UHFFFAOYSA-N
    FDA UNII
    U44R403XVS
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    1-naphthalen-1-ylethanone
    2.1.2 InChI
    InChI=1S/C12H10O/c1-9(13)11-8-4-6-10-5-2-3-7-12(10)11/h2-8H,1H3
    2.1.3 InChI Key
    QQLIGMASAVJVON-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    CC(=O)C1=CC=CC2=CC=CC=C21
    2.2 Other Identifiers
    2.2.1 UNII
    U44R403XVS
    2.3 Synonyms
    2.3.1 MeSH Synonyms

    1. 1-acetonaphthone

    2. 1-acetylnaphthalene

    2.3.2 Depositor-Supplied Synonyms

    1. 941-98-0

    2. 1-acetonaphthone

    3. 1-acetylnaphthalene

    4. Methyl 1-naphthyl Ketone

    5. 1-acetonaphthalene

    6. Ethanone, 1-(1-naphthalenyl)-

    7. 1-(naphthalen-1-yl)ethanone

    8. 1-(1-naphthalenyl)ethanone

    9. 1-naphthyl Methyl Ketone

    10. 1-naphthalen-1-ylethanone

    11. Acetylnaphthalene

    12. 1-(naphthalen-1-yl)ethan-1-one

    13. Nsc 7659

    14. .alpha.-acetonaphthone

    15. .alpha.-acetylnaphthalene

    16. Mfcd00004013

    17. 1-naphthalen-1-yl-ethanone

    18. .alpha.-naphthyl Methyl Ketone

    19. Methyl .alpha.-naphthyl Ketone

    20. U44r403xvs

    21. Nsc-7659

    22. Alpha-acetonaphthone

    23. Alpha-naphthyl Methyl Ketone

    24. Alpha-acetylnaphthalene

    25. 1-(1-naphthyl)ethanone

    26. Methyl Alpha-naphthyl Ketone

    27. 1`-acetonaphthone

    28. Einecs 213-384-1

    29. Brn 1100618

    30. Unii-u44r403xvs

    31. Ai3-00673

    32. 1-acetonaphtone

    33. Acetyl Naphthalene

    34. 1'-acetonaphtone

    35. Methylnaphthylketone

    36. 1\'-acetonaphthone

    37. 1-acetonaphthone, 97%

    38. Liquid U-80

    39. Alpha-methyl Naphthyl Ketone

    40. 1-(1-naphthyl)ethanone #

    41. Schembl50651

    42. Ghl.pd_mitscher_leg0.724

    43. 1-(naphthalen-4-yl)ethanone

    44. 4-07-00-01292 (beilstein Handbook Reference)

    45. .alpha.-methyl Naphthyl Ketone

    46. 1-acetonaphthone [inci]

    47. Dtxsid4052635

    48. Monomethylnaphthalene Formaldehyde

    49. Amy4147

    50. Nsc7659

    51. N-methoxy-n-methylfurancorboxamide

    52. Str04053

    53. Zinc1688258

    54. Stl183335

    55. 1-acetonaphthone, Analytical Standard

    56. Akos000118730

    57. Cs-w020048

    58. Fs-3189

    59. Sy013630

    60. 1-acetonaphthone, Purum, >=96.0% (gc)

    61. A0052

    62. Ft-0608121

    63. D70015

    64. A844867

    65. W-100207

    66. Q27290663

    67. F0001-2262

    68. Z1262395934

    2.4 Create Date
    2005-03-26
    3 Chemical and Physical Properties
    Molecular Weight 170.21 g/mol
    Molecular Formula C12H10O
    XLogP32.9
    Hydrogen Bond Donor Count0
    Hydrogen Bond Acceptor Count1
    Rotatable Bond Count1
    Exact Mass170.073164938 g/mol
    Monoisotopic Mass170.073164938 g/mol
    Topological Polar Surface Area17.1 Ų
    Heavy Atom Count13
    Formal Charge0
    Complexity197
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1