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    CAS-451-40-1

    BUILDING BLOCK

    PharmaCompass
    Xls

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    2D Structure
    Also known as: 2-phenylacetophenone, 1,2-diphenylethanone, 451-40-1, Benzyl phenyl ketone, Ethanone, 1,2-diphenyl-, Desoxybenzoin
    Molecular Formula
    C14H12O
    Molecular Weight
    196.24  g/mol
    InChI Key
    OTKCEEWUXHVZQI-UHFFFAOYSA-N
    FDA UNII
    F17V6C9PZX
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    1,2-diphenylethanone
    2.1.2 InChI
    InChI=1S/C14H12O/c15-14(13-9-5-2-6-10-13)11-12-7-3-1-4-8-12/h1-10H,11H2
    2.1.3 InChI Key
    OTKCEEWUXHVZQI-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    C1=CC=C(C=C1)CC(=O)C2=CC=CC=C2
    2.2 Other Identifiers
    2.2.1 UNII
    F17V6C9PZX
    2.3 Synonyms
    2.3.1 Depositor-Supplied Synonyms

    1. 2-phenylacetophenone

    2. 1,2-diphenylethanone

    3. 451-40-1

    4. Benzyl Phenyl Ketone

    5. Ethanone, 1,2-diphenyl-

    6. Desoxybenzoin

    7. Phenyl Benzyl Ketone

    8. 1,2-diphenylethan-1-one

    9. Acetophenone, 2-phenyl-

    10. Benzoin, Deoxy-

    11. 1,2-diphenyl-ethanone

    12. Deoxy Benzoin

    13. Benzylphenylketone

    14. A-phenylacetophenone

    15. Mfcd00003081

    16. F17v6c9pzx

    17. Nsc-131456

    18. Wln: Rv1r

    19. Einecs 207-193-2

    20. Unii-f17v6c9pzx

    21. Nsc 131456

    22. Brn 1072876

    23. Desoxybenzoine

    24. Ai3-10583

    25. Bzbn

    26. Alpha-phenylacetophenone

    27. 1, 2-diphenylethanone

    28. 1,2 Diphenyl Ethanone

    29. 1,2 Diphenyl-ethanone

    30. Enamine_004883

    31. 1,2-diphenyl-1-ethanone

    32. 2-phenylacetophenone, 97%

    33. Dsstox_cid_24430

    34. Dsstox_rid_80222

    35. Dsstox_gsid_44430

    36. Schembl24800

    37. 4-07-00-01393 (beilstein Handbook Reference)

    38. F3297-0011

    39. 1,2-di(phenyl)ethanone

    40. Chembl3182695

    41. Dtxsid6044430

    42. Nsc6097

    43. 1,2-diphenylethanone;deoxybenzoin

    44. Hms1407n21

    45. Amy39030

    46. Hy-y1777

    47. Nsc-6097

    48. Zinc1504261

    49. D-(+)-fucose;6-deoxy-d-galactose

    50. Tox21_302159

    51. Nsc131456

    52. Nsc249236

    53. Stl264189

    54. Akos001050203

    55. Ccg-103088

    56. Nsc-249236

    57. Ncgc00255911-01

    58. Ac-11645

    59. As-11947

    60. Cas-451-40-1

    61. Sy010613

    62. Db-051270

    63. B0435

    64. Cs-0019389

    65. Eu-0066752

    66. Ft-0624508

    67. En300-17086

    68. A826725

    69. Ah-034/32462010

    70. Sr-01000388911

    71. Sr-01000388911-1

    72. W-106163

    73. Q27277503

    74. Z56876371

    2.4 Create Date
    2005-03-26
    3 Chemical and Physical Properties
    Molecular Weight 196.24 g/mol
    Molecular Formula C14H12O
    XLogP33.2
    Hydrogen Bond Donor Count0
    Hydrogen Bond Acceptor Count1
    Rotatable Bond Count3
    Exact Mass196.088815002 g/mol
    Monoisotopic Mass196.088815002 g/mol
    Topological Polar Surface Area17.1 Ų
    Heavy Atom Count15
    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