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    CAS-2107-69-9

    BUILDING BLOCK

    MARKET PLACE

    PharmaCompass
    Xls

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    2D Structure
    Also known as: 2107-69-9, 5,6-dimethoxy-2,3-dihydro-1h-inden-1-one, 5,6-dimethoxyindan-1-one, 1h-inden-1-one, 2,3-dihydro-5,6-dimethoxy-, 5,6-dimethoxy-indan-1-one, 5,6-dimethoxy-2,3-dihydroinden-1-one
    Molecular Formula
    C11H12O3
    Molecular Weight
    192.21  g/mol
    InChI Key
    IHMQOBPGHZFGLC-UHFFFAOYSA-N
    FDA UNII
    F805RZI8GO
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    5,6-dimethoxy-2,3-dihydroinden-1-one
    2.1.2 InChI
    InChI=1S/C11H12O3/c1-13-10-5-7-3-4-9(12)8(7)6-11(10)14-2/h5-6H,3-4H2,1-2H3
    2.1.3 InChI Key
    IHMQOBPGHZFGLC-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    COC1=C(C=C2C(=C1)CCC2=O)OC
    2.2 Other Identifiers
    2.2.1 UNII
    F805RZI8GO
    2.3 Synonyms
    2.3.1 MeSH Synonyms

    1. 5,6-dimethoxyindan-1-one

    2.3.2 Depositor-Supplied Synonyms

    1. 2107-69-9

    2. 5,6-dimethoxy-2,3-dihydro-1h-inden-1-one

    3. 5,6-dimethoxyindan-1-one

    4. 1h-inden-1-one, 2,3-dihydro-5,6-dimethoxy-

    5. 5,6-dimethoxy-indan-1-one

    6. 5,6-dimethoxy-2,3-dihydroinden-1-one

    7. 5,6-dimethoxyindanone

    8. 5,6-dimethoxy Indanone

    9. Mfcd00003790

    10. F805rzi8go

    11. Chembl611356

    12. Nsc-401450

    13. Nsc401450

    14. 5,6 Dimethoxy Indanone

    15. 5,6dimethoxyindan-1-one

    16. 5, 6 Dimethoxy Indanone

    17. Unii-f805rzi8go

    18. 5,6 Dimethoxy-1-indanone

    19. 5,6 Dimethoxyindan-1-one

    20. Dsstox_cid_31469

    21. Dsstox_rid_97354

    22. Dsstox_gsid_57680

    23. Schembl354177

    24. 1-indanone, 5,6-dimethoxy-

    25. 1-indanone, 5,6-dimethoxy-,

    26. Dtxsid9057680

    27. 5,6-dimethoxy-1-indanone-[d6]

    28. Am845

    29. Hms1665m05

    30. Zinc164394

    31. 5,6-dimethoxy-1-indanone, 97%

    32. 5,6-dimethoxyindane-1-one

    33. Act08215

    34. Bcp08893

    35. Cs-d1431

    36. Einecs 218-287-8

    37. Tox21_113806

    38. Bbl012470

    39. Bdbm50304446

    40. Stk741969

    41. 5,6-dimethoxy-1-indanone-[13c3]

    42. Akos000279828

    43. Ac-1195

    44. Gf-0120

    45. Nsc 401450

    46. Ncgc00253682-01

    47. Sy013700

    48. Cas-2107-69-9

    49. Db-025380

    50. A4570

    51. D3313

    52. Ft-0619825

    53. 07d699

    54. 5,6-dimethoxy-1-indanone (donepezil Impurity)

    55. 5,6-bis(methyloxy)-2,3-dihydro-1h-inden-1-one

    56. Brd-k48252171-001-01-7

    57. Q27277789

    58. Donepezil Hydrochloride Impurity B [ep Impurity]

    2.4 Create Date
    2005-03-26
    3 Chemical and Physical Properties
    Molecular Weight 192.21 g/mol
    Molecular Formula C11H12O3
    XLogP31.6
    Hydrogen Bond Donor Count0
    Hydrogen Bond Acceptor Count3
    Rotatable Bond Count2
    Exact Mass192.078644241 g/mol
    Monoisotopic Mass192.078644241 g/mol
    Topological Polar Surface Area35.5 Ų
    Heavy Atom Count14
    Formal Charge0
    Complexity227
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1