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    CAS 2222-33-5

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    CAS 2222-33-5
    Also known as: Dibenzosuberenone, 2222-33-5, 5-dibenzosuberenone, 5h-dibenzo[a,d][7]annulen-5-one, 5h-dibenzo(a,d)cyclohepten-5-one, Dibenzo[a,d]cyclohepten-5-one
    Molecular Formula
    C15H10O
    Molecular Weight
    206.24  g/mol
    InChI Key
    SNVTZAIYUGUKNI-UHFFFAOYSA-N
    FDA UNII
    XQJHQ6T1YB
    1 2D Structure

    CAS 2222-33-5

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaen-2-one
    2.1.2 InChI
    InChI=1S/C15H10O/c16-15-13-7-3-1-5-11(13)9-10-12-6-2-4-8-14(12)15/h1-10H
    2.1.3 InChI Key
    SNVTZAIYUGUKNI-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    C1=CC=C2C(=C1)C=CC3=CC=CC=C3C2=O
    2.2 Other Identifiers
    2.2.1 UNII
    XQJHQ6T1YB
    2.3 Synonyms
    2.3.1 Depositor-Supplied Synonyms

    1. Dibenzosuberenone

    2. 2222-33-5

    3. 5-dibenzosuberenone

    4. 5h-dibenzo[a,d][7]annulen-5-one

    5. 5h-dibenzo(a,d)cyclohepten-5-one

    6. Dibenzo[a,d]cyclohepten-5-one

    7. 2,3:6,7-dibenzotropone

    8. 2,3:6,7-dibenzosuberen-4-on-1

    9. Dibenzo(a,d)cyclohepten-5-one

    10. Nsc 86151

    11. 5h-dibenzo(a,d)cycloheptenone

    12. Dibenzo(b,f)cyclohepten-1-one

    13. Dibenzo[b,f]cyclohepten-1-one

    14. Xqjhq6t1yb

    15. Mfcd00003588

    16. 5h-dibenzo[a,d]cycloheptenone

    17. Mls001359822

    18. Nsc-86151

    19. Smr001224379

    20. Tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaen-2-one

    21. 5h-dibenzo[a,d]cyclohepten-5-one (dibenzosuberenone)

    22. Dibenzo[2,1-b:1',2'-e][7]annulen-11-one

    23. Einecs 218-737-3

    24. Brn 0743171

    25. Dibenzosuberenone-5

    26. 2,7-dibenzotropone

    27. Unii-xqjhq6t1yb

    28. Ec 218-737-3

    29. 5-dibenzosuberenone, 97%

    30. 4-07-00-01737 (beilstein Handbook Reference)

    31. Cid_16679

    32. 2,7-dibenzosuberen-4-on-1

    33. Schembl268735

    34. Wln: L C676 Bvj

    35. Chembl1535826

    36. Dibenzo[a,b] Cyclohepten-5-one

    37. Dibenzo[a,d]cyclo-hepten-5-one

    38. Dtxsid4062274

    39. Bdbm93906

    40. Dibenzo[a,d]-cycloheptene-5-one

    41. 5h-dibenzo[a,d]cycloheptene-5-on

    42. Hms3058n10

    43. 5h-dibenzo[a,d]cycloheptene-5-one

    44. Nsc86151

    45. Zinc1760831

    46. 5h-dibenzo[a,d]-cyclohepten-5-one

    47. 5h-dibenzo[a,d]cyclo-hepten-5-one

    48. Akos004907136

    49. Ac-8771

    50. Dibenzo[[?],[?]][7]annulen-11-one

    51. Ncgc00247282-01

    52. As-13493

    53. Sy039325

    54. Dibenzocycloheptenone [usp Impurity]

    55. Am20030373

    56. Cs-0001455

    57. D1791

    58. Ft-0602562

    59. 11-dibenzo[1,2-a:1'',2''-e][7]annulenone

    60. Dibenzo[1,2-a:1'',2''-e]cyclohepten-11-one

    61. A852221

    62. Dibenzo[1,2-a:1'',2''-e][7]annulen-11-one

    63. Dibenzo[1,2-a:1\',2\'-e][7]annulen-11-one

    64. Sr-01000316066

    65. Sr-01000316066-1

    66. W-107494

    67. 5h-dibenzo[a,d]cyclohepten-5-one;5h-dibenzo[a,d][7]annulen-5-one

    2.4 Create Date
    2005-03-26
    3 Chemical and Physical Properties
    Molecular Weight 206.24 g/mol
    Molecular Formula C15H10O
    XLogP34.2
    Hydrogen Bond Donor Count0
    Hydrogen Bond Acceptor Count1
    Rotatable Bond Count0
    Exact Mass206.073164938 g/mol
    Monoisotopic Mass206.073164938 g/mol
    Topological Polar Surface Area17.1 Ų
    Heavy Atom Count16
    Formal Charge0
    Complexity277
    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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