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    CAS 90-27-7 manufacturers and suppliers on PharmaCompass

    Client Email Product

    (+/-)-2-Phenylbutyric acid

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    PharmaCompass
    (+/-)-2-Phenylbutyric acid
    Also known as: 2-phenylbutanoic acid, 90-27-7, Alpha-ethylphenylacetic acid, Butyric acid, 2-phenyl-, Alpha-phenylbutyric acid, Benzeneacetic acid, .alpha.-ethyl-
    Molecular Formula
    C10H12O2
    Molecular Weight
    164.20  g/mol
    InChI Key
    OFJWFSNDPCAWDK-UHFFFAOYSA-N
    FDA UNII
    S7S079H2C2
    -phenylbutyric acid is a natural product found in Artemisia judaica, Opuntia ficus-indica, and other organisms with data available.
    1 2D Structure

    (+/-)-2-Phenylbutyric acid

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    2-phenylbutanoic acid
    2.1.2 InChI
    InChI=1S/C10H12O2/c1-2-9(10(11)12)8-6-4-3-5-7-8/h3-7,9H,2H2,1H3,(H,11,12)
    2.1.3 InChI Key
    OFJWFSNDPCAWDK-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    CCC(C1=CC=CC=C1)C(=O)O
    2.2 Other Identifiers
    2.2.1 UNII
    S7S079H2C2
    2.3 Synonyms
    2.3.1 MeSH Synonyms

    1. 2-phenylbutanoic Acid

    2.3.2 Depositor-Supplied Synonyms

    1. 2-phenylbutanoic Acid

    2. 90-27-7

    3. Alpha-ethylphenylacetic Acid

    4. Butyric Acid, 2-phenyl-

    5. Alpha-phenylbutyric Acid

    6. Benzeneacetic Acid, .alpha.-ethyl-

    7. Benzeneacetic Acid, Alpha-ethyl-

    8. (+/-)-2-phenylbutyric Acid

    9. Nsc 1860

    10. 2-phenyl-butyric Acid

    11. A-ethylphenylacetic Acid

    12. Mfcd00002667

    13. .alpha.-phenylbutyric Acid

    14. (rs)-2-phenylbutanoic Acid

    15. Alpha-ethyl-alpha-toluic Acid

    16. (2rs)-2-phenylbutanoic Acid

    17. Chebi:86545

    18. Nsc1860

    19. S7s079h2c2

    20. Nsc-1860

    21. .alpha.-toluic Acid, .alpha.-ethyl-

    22. 2-phenylbutanoate

    23. Alpha-phenyl Butyric Acid

    24. 2-phenylbutanoicacid

    25. 2-phenylburyric Acid

    26. Alpha-toluic Acid, Alpha-ethyl-

    27. 2-phenyl Butyric Acid

    28. Einecs 201-982-5

    29. Brn 0509876

    30. 2-ethyl-2-phenylacetic Acid

    31. Unii-s7s079h2c2

    32. A-phenylbutyrate

    33. Ai3-11228

    34. 2-phenylbutyrate

    35. A-ethyl-a-toluate

    36. A-ethylphenylacetate

    37. Alpha-phenylbutyrate

    38. Phenyl Butanoic Acid

    39. A-ethylbenzeneacetate

    40. Primidone Impurity E

    41. A-ethyl-a-toluic Acid

    42. Alpha-ethylphenylacetate

    43. Spectrum_001673

    44. Alpha-ethylbenzeneacetate

    45. Specplus_000897

    46. A-ethylbenzeneacetic Acid

    47. (rs)-2-phenylbutanoate

    48. Alpha-ethyl-alpha-toluate

    49. Spectrum2_000510

    50. Spectrum3_001664

    51. Spectrum4_000626

    52. Spectrum5_001396

    53. (+)2-phenylbutyric Acid

    54. Bmse000617

    55. A-phenylbutyric Acid

    56. Cambridge Id 5132265

    57. Schembl1715

    58. Wln: Qvy2&r

    59. .alpha.-phenyl Butyric Acid

    60. Alpha-ethylbenzeneacetic Acid

    61. 2-phenylbutyric Acid, 98%

    62. Bspbio_003447

    63. Kbiogr_001212

    64. Kbioss_002153

    65. 2-09-00-00356 (beilstein Handbook Reference)

    66. Divk1c_006993

    67. .alpha.-ethylphenylacetic Acid

    68. Spbio_000439

    69. .alpha.-phenyl-n-butyric Acid

    70. (4-carboxyphenyl)acetone

    71. Chembl1616045

    72. Kbio1_001937

    73. Kbio2_002153

    74. Kbio2_004721

    75. Kbio2_007289

    76. Kbio3_002667

    77. Dtxsid90861682

    78. (.+/-.)-2-phenylbutyric Acid

    79. (.+/-.)-2-phenylbutanoic Acid

    80. Albb-023513

    81. Amy40956

    82. (^+)-2-phenylbutyric Acid, 98%

    83. Bbl012274

    84. S6086

    85. Stl163589

    86. Akos000120324

    87. Akos016040111

    88. (+/-)-2-phenylbutanoic Acid

    89. Bs-3887

    90. Cs-w017910

    91. Hy-w017194

    92. Sb44765

    93. Ac-10409

    94. Sy036812

    95. Primidone Impurity E [ep Impurity]

    96. Db-070362

    97. Db-079726

    98. Ft-0605052

    99. Ft-0605258

    100. Ft-0613342

    101. P0164

    102. E78161

    103. A843486

    104. J-520787

    105. W-100334

    106. Q27159231

    107. F2191-0104

    108. Z1259040987

    109. (+/-)-2-phenylbutyric Acid, Vetec(tm) Reagent Grade, 98%

    2.4 Create Date
    2005-03-26
    3 Chemical and Physical Properties
    Molecular Weight 164.20 g/mol
    Molecular Formula C10H12O2
    XLogP32.3
    Hydrogen Bond Donor Count1
    Hydrogen Bond Acceptor Count2
    Rotatable Bond Count3
    Exact Mass164.083729621 g/mol
    Monoisotopic Mass164.083729621 g/mol
    Topological Polar Surface Area37.3 Ų
    Heavy Atom Count12
    Formal Charge0
    Complexity148
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count1
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1
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