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    1-(naphthalenyl)-ethanone

    PharmaCompass
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    2D Structure
    Also known as: 2-acetonaphthone, 93-08-3, 2'-acetonaphthone, 1-(naphthalen-2-yl)ethanone, Methyl 2-naphthyl ketone, Ethanone, 1-(2-naphthalenyl)-
    Molecular Formula
    C12H10O
    Molecular Weight
    170.21  g/mol
    InChI Key
    XSAYZAUNJMRRIR-UHFFFAOYSA-N
    FDA UNII
    21D49LOP2T
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    1-naphthalen-2-ylethanone
    2.1.2 InChI
    InChI=1S/C12H10O/c1-9(13)11-7-6-10-4-2-3-5-12(10)8-11/h2-8H,1H3
    2.1.3 InChI Key
    XSAYZAUNJMRRIR-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    CC(=O)C1=CC2=CC=CC=C2C=C1
    2.2 Other Identifiers
    2.2.1 UNII
    21D49LOP2T
    2.3 Synonyms
    2.3.1 Depositor-Supplied Synonyms

    1. 2-acetonaphthone

    2. 93-08-3

    3. 2'-acetonaphthone

    4. 1-(naphthalen-2-yl)ethanone

    5. Methyl 2-naphthyl Ketone

    6. Ethanone, 1-(2-naphthalenyl)-

    7. Acetonaphthone

    8. 1-(2-naphthyl)ethanone

    9. 2-naphthyl Methyl Ketone

    10. Methyl Beta-naphthyl Ketone

    11. Oranger Cyrstals

    12. 1-naphthalen-2-ylethanone

    13. Beta-acetonaphthalene

    14. 1-(2-naphthalenyl)ethanone

    15. Oranger Crystals

    16. Ketone, Methyl 2-naphthyl

    17. Cetone D

    18. Beta-acetonaphthone

    19. Beta-acetylnaphthalene

    20. Beta-naphthyl Methyl Ketone

    21. 1-(naphthyl)ethan-1-one

    22. 1-(naphthalen-2-yl)ethan-1-one

    23. 1333-52-4

    24. .beta.-acetonaphthone

    25. Fema No. 2723

    26. Nsc 7658

    27. 2-acetyl Naphthalene

    28. Methyl .beta.-naphthyl Ketone

    29. .beta.-acetonaphthalene

    30. .beta.-acetylnaphthalene

    31. Mfcd00004108

    32. 1-naphthalen-2-yl-ethanone

    33. .beta.-methyl Naphthyl Ketone

    34. .beta.-naphthyl Methyl Ketone

    35. 21d49lop2t

    36. Chebi:52364

    37. Nsc-7658

    38. Ccris 6558

    39. Einecs 202-216-2

    40. Brn 0774965

    41. Unii-21d49lop2t

    42. Ai3-00642

    43. 2-acetylnaphthlene

    44. 2-acetyl Napthalene

    45. Beta -acetonaphthone

    46. 2-acetyl-naphthalene

    47. Beta -acetonaphthalene

    48. Beta -acetylnaphthalene

    49. Unii-hgy15vje1u

    50. 2-acetonaphthone, 99%

    51. Methyl Beta-naphthylketone

    52. Hgy15vje1u

    53. 1-(naphthalenyl)-ethanone

    54. Ec 202-216-2

    55. 1-(2-naphthyl)ethanone #

    56. Beta -methyl Naphthyl Ketone

    57. Beta -naphthyl Methyl Ketone

    58. Dsstox_cid_21389

    59. Dsstox_rid_79711

    60. Dsstox_gsid_41389

    61. Methyl Beta -naphthyl Ketone

    62. Schembl43058

    63. 1-(2-naphthalenyl)-ethanone

    64. 1-(naphthalen-3-yl)ethanone

    65. 4-07-00-01294 (beilstein Handbook Reference)

    66. Beta.-acetylnaphthalene

    67. Wln: L66j Cv1

    68. Acetonaphthone (mixed Isomers)

    69. 2-acetonaphthone [inci]

    70. Chembl3183700

    71. Dtxsid2041389

    72. Nsc7658

    73. Zinc967335

    74. Amy38256

    75. Cs-b1305

    76. Hy-y1819

    77. Beta.-naphthyl Methyl Ketone

    78. Einecs 215-594-9

    79. Tox21_302186

    80. Stk370453

    81. 2-acetonaphthone, Analytical Standard

    82. Akos000119679

    83. Cas-93-08-3

    84. S12359

    85. Ncgc00257541-01

    86. Ac-26572

    87. As-14446

    88. Methyl Beta-naphthyl Ketone [fcc]

    89. A0053

    90. Ft-0610939

    91. Methyl 2-naphthyl Ketone 2-acetylnaphthalene

    92. Methyl .beta.-naphthyl Ketone [fhfi]

    93. Methyl Beta-naphthyl Ketone, >=99%, Fcc, Fg

    94. A844438

    95. Ac-907/25014303

    96. W-100256

    97. Q27123397

    98. F1995-0259

    99. Z966690466

    2.4 Create Date
    2005-03-26
    3 Chemical and Physical Properties
    Molecular Weight 170.21 g/mol
    Molecular Formula C12H10O
    XLogP33.2
    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
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