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    Technical details about CAS 3663-80-7, learn more about the structure, uses, toxicity, action, side effects and more

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    CAS 3663-80-7

    BUILDING BLOCK

    PharmaCompass
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    2D Structure
    Also known as: 3663-80-7, 1,4-benzodioxan-2-carboxylic acid, 2,3-dihydrobenzo[b][1,4]dioxine-2-carboxylic acid, 2,3-dihydro-1,4-benzodioxine-2-carboxylic acid, 34385-93-8, 1,4-benzodioxin-2-carboxylic acid, 2,3-dihydro-
    Molecular Formula
    C9H8O4
    Molecular Weight
    180.16  g/mol
    InChI Key
    HMBHAQMOBKLWRX-UHFFFAOYSA-N
    FDA UNII
    T9Z56HV1B0
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    2,3-dihydro-1,4-benzodioxine-3-carboxylic acid
    2.1.2 InChI
    InChI=1S/C9H8O4/c10-9(11)8-5-12-6-3-1-2-4-7(6)13-8/h1-4,8H,5H2,(H,10,11)
    2.1.3 InChI Key
    HMBHAQMOBKLWRX-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    C1C(OC2=CC=CC=C2O1)C(=O)O
    2.2 Other Identifiers
    2.2.1 UNII
    T9Z56HV1B0
    2.3 Synonyms
    2.3.1 Depositor-Supplied Synonyms

    1. 3663-80-7

    2. 1,4-benzodioxan-2-carboxylic Acid

    3. 2,3-dihydrobenzo[b][1,4]dioxine-2-carboxylic Acid

    4. 2,3-dihydro-1,4-benzodioxine-2-carboxylic Acid

    5. 34385-93-8

    6. 1,4-benzodioxin-2-carboxylic Acid, 2,3-dihydro-

    7. Rac 1,4-benzodioxane-2-carboxylic Acid

    8. Doxazosin Impurity A

    9. 2,3-dihydro-1,4-benzodioxine-3-carboxylic Acid

    10. (2rs)-2,3-dihydro-1,4-benzodioxine-2-carboxylic Acid

    11. 1,4-benzodioxane 2-carboxylic Acid

    12. Rx 811056

    13. Rx-811056

    14. T9z56hv1b0

    15. (+/-)-1,4-benzodioxan-2-carboxylic Acid

    16. 2,3-dihydro-1,4-benzodioxin-2-carboxylic Acid

    17. 2,3-dihydrobenzo(b)(1,4)dioxine-2-carboxylic Acid

    18. Mfcd00084888

    19. 2,3-dihydrobenzo[1,4]dioxine-2-carboxylic Acid

    20. (s)-2,3-dihydrobenzo[b][1,4]dioxine-2-carboxylic Acid

    21. Unii-t9z56hv1b0

    22. Cholinehydroxide

    23. Doxazosin Mesilate Impurity A [ep]

    24. Cds1_000297

    25. Usp Doxazosin Related Compound D [usp]

    26. Maybridge1_002585

    27. Usp Doxazosin Related Compound D Rs [usp]

    28. Chemdiv2_003276

    29. 2-benzodioxanecarboxylic Acid

    30. Oprea1_073520

    31. Divk1c_001337

    32. Schembl229498

    33. Hms548n11

    34. Dtxsid30957891

    35. Usp Doxazosin Related Compound D

    36. Hms1378e20

    37. Act09619

    38. Albb-004760

    39. Doxazosin Related Compound D

    40. Str04611

    41. 1,4-benzodiozane-2-carboxylic Acid

    42. Bbl001421

    43. Stk183543

    44. Akos000271138

    45. Akos016040108

    46. Ac-1644

    47. Am10812

    48. Ccg-202901

    49. Cs-w002348

    50. Pb43330

    51. Sdccgmls-0065916.p001

    52. Sy003328

    53. 1,4-benzodioxan-2-carboxylic Acid, 97%

    54. 1-(o-tolyl)piperazinedihydrochloride

    55. Db-048985

    56. A6320

    57. B3406

    58. Eu-0033210

    59. Ft-0606770

    60. Ft-0630207

    61. Ft-0650411

    62. Ft-0651340

    63. Doxazosin Related Compound D [usp-rs]

    64. 63b807

    65. 2,3-dihydro-benzo[1,4]dioxine-2-carboxylic Acid

    66. Sr-01000597134

    67. 12w-0825

    68. 2,3-dihydrobenzo[b][1,4]dioxine-2-carboxylicacid

    69. Doxazosin Mesilate Impurity A [ep Impurity]

    70. J-507002

    71. Sr-01000597134-1

    72. 2,3-dihydrobenzo [b][1,4]dioxine-2-carboxylic Acid

    73. Q27289857

    74. Z56839652

    75. F0913-5472

    76. Usp Doxazosin Related Compound D [usp Impurity]

    77. Doxazosin Related Compound D, United States Pharmacopeia (usp) Reference Standard

    78. 5-[5-(5-chloro-1h-indol-2-yl)-1,2,4-oxadiazol-3-yl]-1-(3-oxo-3-pyrrolidin-1-ylpropyl)-1h-benzimidazole

    2.4 Create Date
    2005-07-19
    3 Chemical and Physical Properties
    Molecular Weight 180.16 g/mol
    Molecular Formula C9H8O4
    XLogP31.4
    Hydrogen Bond Donor Count1
    Hydrogen Bond Acceptor Count4
    Rotatable Bond Count1
    Exact Mass180.04225873 g/mol
    Monoisotopic Mass180.04225873 g/mol
    Topological Polar Surface Area55.8 Ų
    Heavy Atom Count13
    Formal Charge0
    Complexity204
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count1
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1