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    CAS 15128-52-6

    BUILDING BLOCK

    MARKET PLACE

    PharmaCompass
    Xls

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    2D Structure
    Also known as: 15128-52-6, 1,2,3,4-tetrahydro-4-oxo-carbazole, 1,2,3,4-tetrahydro-4-oxocarbazole, 1,2,3,9-tetrahydro-4h-carbazol-4-one, 1,2,3,9-tetrahydrocarbazol-4-one, 1,2,3,4-tetrahydrocarbazol-4-one
    Molecular Formula
    C12H11NO
    Molecular Weight
    185.22  g/mol
    InChI Key
    DSXKDTZEIWTHRO-UHFFFAOYSA-N
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    1,2,3,9-tetrahydrocarbazol-4-one
    2.1.2 InChI
    InChI=1S/C12H11NO/c14-11-7-3-6-10-12(11)8-4-1-2-5-9(8)13-10/h1-2,4-5,13H,3,6-7H2
    2.1.3 InChI Key
    DSXKDTZEIWTHRO-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    C1CC2=C(C(=O)C1)C3=CC=CC=C3N2
    2.2 Synonyms
    2.2.1 MeSH Synonyms

    1. 1,2,3,9-tetrahydro-4h-carbazol-4-one

    2.2.2 Depositor-Supplied Synonyms

    1. 15128-52-6

    2. 1,2,3,4-tetrahydro-4-oxo-carbazole

    3. 1,2,3,4-tetrahydro-4-oxocarbazole

    4. 1,2,3,9-tetrahydro-4h-carbazol-4-one

    5. 1,2,3,9-tetrahydrocarbazol-4-one

    6. 1,2,3,4-tetrahydrocarbazol-4-one

    7. 1,2,3,9-tetrahydro-4(h)-carbazol-4-one

    8. 1,2,3,9-tetrahydro-4h-carbazole-4-one

    9. 2,3,4,9-tetrahydro-1h-carbazol-4-one

    10. 4h-carbazol-4-one, 1,2,3,9-tetrahydro-

    11. Mfcd00173749

    12. 1,2,3,9-tetrahydro-carbazol-4-one

    13. Ethylp-toluate

    14. Ondansetron Impurity I

    15. Schembl2220752

    16. 1,2-dihydrocarbazol-4(3h)-one

    17. 2,3-dihydro-1h-carbazole-4-ol

    18. Dtxsid801290622

    19. Zinc519622

    20. Bcp15343

    21. 1,2,3,9-tetrahydrocarbazole-4-one

    22. Stk062659

    23. 2,3-dihydro-1h-carbazol-4(9h)-on

    24. Akos005135868

    25. 1,2,3,9-tetrahydro-carbazole-4-one

    26. 1,2-dihydro-9h-carbazol-4(3h)-one

    27. Ac-6233

    28. Cs-w016949

    29. Gf-0126

    30. Sy021332

    31. 1,2,3,4-tetrahydro-9h-carbazole-4-one

    32. Db-018713

    33. Db-045330

    34. Ft-0602409

    35. Ft-0602568

    36. T2559

    37. 128t526

    38. 4h-carbazol-4-one,1,2,3,4a,9,9a-hexahydro-

    39. A809153

    40. J-008799

    41. J-013503

    42. Z1741975719

    2.3 Create Date
    2005-07-09
    3 Chemical and Physical Properties
    Molecular Weight 185.22 g/mol
    Molecular Formula C12H11NO
    XLogP32.2
    Hydrogen Bond Donor Count1
    Hydrogen Bond Acceptor Count1
    Rotatable Bond Count0
    Exact Mass185.084063974 g/mol
    Monoisotopic Mass185.084063974 g/mol
    Topological Polar Surface Area32.9 Ų
    Heavy Atom Count14
    Formal Charge0
    Complexity251
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1