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    CAS 7077-05-6

    BUILDING BLOCK

    PharmaCompass
    Xls

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    2D Structure
    Also known as: 7077-05-6, 62067-45-2, 7084-93-7, 4-isopropylcyclohexanecarboxylic acid, Cis-4-isopropylcyclohexanecarboxylic acid, Trans-4-isopropylcyclohexane carboxylic acid
    Molecular Formula
    C10H18O2
    Molecular Weight
    170.25  g/mol
    InChI Key
    YRQKWRUZZCBSIG-UHFFFAOYSA-N
    FDA UNII
    J76GYT4RZX
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    4-propan-2-ylcyclohexane-1-carboxylic acid
    2.1.2 InChI
    InChI=1S/C10H18O2/c1-7(2)8-3-5-9(6-4-8)10(11)12/h7-9H,3-6H2,1-2H3,(H,11,12)
    2.1.3 InChI Key
    YRQKWRUZZCBSIG-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    CC(C)C1CCC(CC1)C(=O)O
    2.2 Other Identifiers
    2.2.1 UNII
    J76GYT4RZX
    2.3 Synonyms
    2.3.1 Depositor-Supplied Synonyms

    1. 7077-05-6

    2. 62067-45-2

    3. 7084-93-7

    4. 4-isopropylcyclohexanecarboxylic Acid

    5. Cis-4-isopropylcyclohexanecarboxylic Acid

    6. Trans-4-isopropylcyclohexane Carboxylic Acid

    7. Isopropyl-cyclohexanecarboxylic Acid

    8. Hexahydrocumic Acid

    9. 4-propan-2-ylcyclohexane-1-carboxylic Acid

    10. Cyclohexanecarboxylic Acid, 4-(1-methylethyl)-, Trans-

    11. Cyclohexanecarboxylic Acid, 4-(1-methylethyl)-

    12. 4-isopropylcyclohexane Carboxylic Acid

    13. Trans-4-isopropylcyclohexylcarboxylic Acid

    14. Trans-4-isopropylcyclohexyl Carboxylic Acid

    15. J76gyt4rzx

    16. Trans-4-(1-methylethyl)cyclohexanecarboxylic Acid

    17. Trans-p-menthan-7-oic Acid

    18. Cyclohexanecarboxylic Acid, 4-(1-methylethyl)-, Cis-

    19. Trans-4-(1-methylethyl)cyclohexane Carboxylic Acid

    20. Mfcd04004145

    21. 4-isopropylcyclohexanecarboxylic Acid (cis- And Trans- Mixture)

    22. P-isopropylhexahydrobenzoic Acid

    23. Cyclohexanecarboxylic Acid, 4-isopropyl-, Trans-

    24. (1r,4r)-4-(propan-2-yl)cyclohexane-1-carboxylic Acid

    25. Mfcd01734696

    26. Cyclohexanecarboxylic Acid, 4-isopropyl-

    27. Einecs 230-385-2

    28. 4-iso-propylcyclohexanecarboxylic Acid

    29. Nsc 124041

    30. Nateglinide Impurity A

    31. Trans-p-isopropylcyclohexanecarboxylic Acid

    32. Unii-j76gyt4rzx

    33. Trans-4-isopropyl Cyclohexane Carboxylic Acid

    34. Cyclohexanecarboxylic Acid, 4-isopropyl-, Cis-

    35. Schembl824154

    36. Cyclohexanecarboxylicacid, 4-(1-methylethyl)-, Cis-

    37. Nateglinide Related Compound A

    38. 4-isopropylcyclohexanecarboxylic

    39. Schembl1692318

    40. Schembl10270877

    41. Schembl13917841

    42. Schembl14620731

    43. Dtxsid00884281

    44. Dtxsid20884283

    45. Dtxsid50977652

    46. Nsc28951

    47. Zinc6130108

    48. Einecs 230-375-8

    49. Ac7772

    50. Mfcd19706019

    51. Nsc 28951

    52. Nsc-28951

    53. Nsc124041

    54. Stk661653

    55. Akos004093386

    56. Akos006344479

    57. Zinc100003956

    58. Zinc100805237

    59. 4-isopropyl Cyclohexane Carboxylic Acid

    60. Ac-4554

    61. Cis-4-isopropylcyclohexanecarboxylicacid

    62. Cs-w023032

    63. Gs-3182

    64. Nsc-124041

    65. Sb44777

    66. As-10826

    67. As-83236

    68. Sy031424

    69. 4-(propan-2-yl)cyclohexanecarboxylic Acid

    70. Db-055449

    71. Db-073045

    72. Trans-4-iso-propylcyclohexanecarboxylic Acid

    73. Am20070511

    74. Ft-0627010

    75. Ft-0636350

    76. I0664

    77. I0874

    78. Nateglinide Impurity A [ep Impurity]

    79. Trans-4-iso-propylcyclo-hexanecarboxylic Acid

    80. (1r,4r)-4-isopropylcyclohexanecarboxylic Acid

    81. 4-(propan-2-yl)cyclohexane-1-carboxylic Acid

    82. A25074

    83. Cis-4-isopropylcyclohexanecarboxylic Acid, 97%

    84. T72718

    85. 067i452

    86. 4alpha-isopropylcyclohexane-1alpha-carboxylic Acid

    87. A833561

    88. A1-00910

    89. W-104541

    90. Nateglinide Related Compound A [usp Impurity]

    91. (1s,4s)-4-(propan-2-yl)cyclohexane-1-carboxylic Acid

    92. F2191-0123

    93. Z1696844472

    2.4 Create Date
    2005-03-26
    3 Chemical and Physical Properties
    Molecular Weight 170.25 g/mol
    Molecular Formula C10H18O2
    XLogP32.9
    Hydrogen Bond Donor Count1
    Hydrogen Bond Acceptor Count2
    Rotatable Bond Count2
    Exact Mass170.130679813 g/mol
    Monoisotopic Mass170.130679813 g/mol
    Topological Polar Surface Area37.3 Ų
    Heavy Atom Count12
    Formal Charge0
    Complexity155
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1