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    CAS-505-48-6

    BUILDING BLOCK

    PharmaCompass
    Xls

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    2D Structure
    Also known as: Octanedioic acid, 505-48-6, 1,8-octanedioic acid, Cork acid, 1,6-hexanedicarboxylic acid, Hexamethylenedicarboxylic acid
    Molecular Formula
    C8H14O4
    Molecular Weight
    174.19  g/mol
    InChI Key
    TYFQFVWCELRYAO-UHFFFAOYSA-N
    FDA UNII
    6U7Y4M9C1H
    Suberic acid is a metabolite found in the aging mouse brain.
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    octanedioic acid
    2.1.2 InChI
    InChI=1S/C8H14O4/c9-7(10)5-3-1-2-4-6-8(11)12/h1-6H2,(H,9,10)(H,11,12)
    2.1.3 InChI Key
    TYFQFVWCELRYAO-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    C(CCCC(=O)O)CCC(=O)O
    2.2 Other Identifiers
    2.2.1 UNII
    6U7Y4M9C1H
    2.3 Synonyms
    2.3.1 MeSH Synonyms

    1. Suberic Acid, Cadmium (1:1) Salt

    2. Suberic Acid, Dipotassium Salt

    3. Suberic Acid, Disodium Salt

    4. Suberic Acid, Manganese (+2) (1:1) Salt

    5. Suberic Acid, Monosodium Salt

    2.3.2 Depositor-Supplied Synonyms

    1. Octanedioic Acid

    2. 505-48-6

    3. 1,8-octanedioic Acid

    4. Cork Acid

    5. 1,6-hexanedicarboxylic Acid

    6. Hexamethylenedicarboxylic Acid

    7. Octane-1,8-dioic Acid

    8. 1,6-dicarboxyhexane

    9. Carboxylic Acids, Di-, C4-11

    10. Nsc25952

    11. Mfcd00004428

    12. 6u7y4m9c1h

    13. Chebi:9300

    14. Nsc-25952

    15. 68937-72-4

    16. Unii-6u7y4m9c1h

    17. Korksaeure

    18. Oktandisaeure

    19. Suberinsaeure

    20. Korksaure

    21. Kork Acid

    22. C8h14o4

    23. 1,8-octanedioate

    24. Einecs 208-010-9

    25. Einecs 273-084-1

    26. Nsc 25952

    27. Octane-1,8-dioate

    28. Suberic Acid, 98%

    29. Octane-1,8-dioic Aid

    30. 1,6-hexanedicarboxylate

    31. Hexamethylenedicarboxylate

    32. Ai3-52672

    33. Dsstox_cid_1644

    34. Bmse000378

    35. Suberic Acid [mi]

    36. Schembl3301

    37. Dsstox_rid_76258

    38. Dsstox_gsid_21644

    39. Octanedioic Acid Suberic Acid

    40. Bidd:er0503

    41. Chembl1162491

    42. Dtxsid8021644

    43. Nsc53777

    44. Str03966

    45. Zinc1531046

    46. Tox21_200531

    47. Ac7522

    48. Bbl009289

    49. Lmfa01170001

    50. Nsc-53777

    51. S6220

    52. Stk801855

    53. Akos000119018

    54. Cs-w016016

    55. Hy-w015300

    56. Suberic Acid, Purum, >=98.0% (t)

    57. Ncgc00164012-01

    58. Ncgc00164012-02

    59. Ncgc00164012-03

    60. Ncgc00258085-01

    61. Bp-27862

    62. Cas-505-48-6

    63. Sy004501

    64. Db-071218

    65. Am20100233

    66. Ft-0655538

    67. O0023

    68. C08278

    69. C8-120

    70. C8-140

    71. C8-180

    72. C8-220

    73. C8-260

    74. C8-298

    75. S-9000

    76. Ab00376809-03

    77. Q899074

    78. 932d754a-ee85-46c7-a95b-a93a3dc1ec61

    79. F1905-7049

    80. Z1270446352

    2.4 Create Date
    2005-03-26
    3 Chemical and Physical Properties
    Molecular Weight 174.19 g/mol
    Molecular Formula C8H14O4
    XLogP31
    Hydrogen Bond Donor Count2
    Hydrogen Bond Acceptor Count4
    Rotatable Bond Count7
    Exact Mass174.08920892 g/mol
    Monoisotopic Mass174.08920892 g/mol
    Topological Polar Surface Area74.6 Ų
    Heavy Atom Count12
    Formal Charge0
    Complexity135
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1