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    3-Hydroxybutanoic Acid

    ACTIVE PHARMA INGREDIENTS

    DIGITAL CONTENT

    PharmaCompass
    $ API Ref.Price (USD/KG) : 5,802Xls

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    2D Structure
    Also known as: 3-hydroxybutanoic acid, 300-85-6, Butanoic acid, 3-hydroxy-, Beta-hydroxybutyric acid, 625-71-8, Dl-beta-hydroxybutyric acid
    Molecular Formula
    C4H8O3
    Molecular Weight
    104.10  g/mol
    InChI Key
    WHBMMWSBFZVSSR-UHFFFAOYSA-N
    FDA UNII
    TZP1275679
    BUTYRIC ACID substituted in the beta or 3 position. It is one of the ketone bodies produced in the liver.
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    3-hydroxybutanoic acid
    2.1.2 InChI
    InChI=1S/C4H8O3/c1-3(5)2-4(6)7/h3,5H,2H2,1H3,(H,6,7)
    2.1.3 InChI Key
    WHBMMWSBFZVSSR-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    CC(CC(=O)O)O
    2.2 Other Identifiers
    2.2.1 UNII
    TZP1275679
    2.3 Synonyms
    2.3.1 MeSH Synonyms

    1. (+ -)-3-hydroxybutyric Acid

    2. 3 Hydroxybutyrate

    3. 3 Hydroxybutyric Acid

    4. 3-hydroxybutyrate

    5. Beta Hydroxybutyrate

    6. Beta Hydroxybutyric Acid

    7. Beta-hydroxybutyrate

    8. Beta-hydroxybutyric Acid

    2.3.2 Depositor-Supplied Synonyms

    1. 3-hydroxybutanoic Acid

    2. 300-85-6

    3. Butanoic Acid, 3-hydroxy-

    4. Beta-hydroxybutyric Acid

    5. 625-71-8

    6. Dl-beta-hydroxybutyric Acid

    7. 3 Hba

    8. Dl-3-hydroxybutyric Acid

    9. 3-hydroxybuttersaeure

    10. Butyric Acid, 3-hydroxy-

    11. Beta-hydroxybuttersaeure

    12. Beta-hydroxybutyrate

    13. Beta-hydroxy-n-butyric Acid

    14. 3-hydroxy-butanoic Acid

    15. .beta.-hydroxybutyric Acid

    16. (1)-3-hydroxybutyric Acid

    17. Poly-beta-hydroxybutyric Acid

    18. (+-)-3-hydroxybutyric Acid

    19. Beta-hydroxy-butyrate

    20. (+/-)-3-hydroxybutyric Acid

    21. D,l-3 Hydroxybutyrate

    22. Beta-hydroxybutanoic Acid

    23. Nsc 3806

    24. Nsc-3806

    25. Hydroxybutyric Acid, Dl-

    26. .beta.-hydroxy-n-butyric Acid

    27. Ai3-21675

    28. 26063-00-3

    29. D(-)-beta-hydroxy Butyric Acid

    30. Chebi:20067

    31. 3-hydroxybutyric Acid, (+/-)-

    32. Tzp1275679

    33. Butyric Acid, 3-hydroxy- (8ci)

    34. Smr000112209

    35. Poly(3-hydroxybutyrate)

    36. Poly-beta-hydroxybutyrate

    37. 3-hydroxybutyricacid

    38. Unii-tzp1275679

    39. 3-hydroxybutanoic Acid Homopolymer

    40. Einecs 206-099-9

    41. Einecs 210-908-0

    42. 3-oh-butyric Acid

    43. Bhba

    44. 3- Hydroxybutyric Acid

    45. 3-hydroxy-butyric Acid

    46. Dl-3-hydroxybutyricacid

    47. Bmse000161

    48. Bmse000905

    49. Schembl2731

    50. (rs)-3-hydroxybutyric Acid

    51. (+/-)-beta-hydroxybutyrate

    52. Mls001332397

    53. Mls001332398

    54. 3-hydroxybutyric Acid, 95%

    55. Dl-.beta.-hydroxybutyric Acid

    56. (+/-)-3-hydroxybutanoic Acid

    57. Chembl1162496

    58. .beta.hydroxybutyric Acid

    59. Dtxsid60859511

    60. Nsc3806

    61. (.+/-.)-3-hydroxybutyric Acid

    62. Hms2270c20

    63. Hms3369f13

    64. Amy10050

    65. Bbl027467

    66. Lmfa01050005

    67. Mfcd00004546

    68. S1031

    69. Stl377875

    70. 3-hydroxybutyric Acid [inci]

    71. Akos009156821

    72. Ab88579

    73. Ac-5701

    74. Sb44475

    75. Butanoic Acid, 3-hydroxy-, Homopolymer

    76. .beta.-hydroxybutyric Acid [mi]

    77. Beta-hydroxybutyric Acid [who-dd]

    78. Vs-08544

    79. Hy-113378

    80. Cs-0062335

    81. Ft-0605155

    82. Ft-0605325

    83. Ft-0615836

    84. Ft-0625402

    85. H0228

    86. D84191

    87. A833855

    88. A876308

    89. Q223092

    90. J-016241

    91. J-017776

    92. 869dd3c9-3114-4be2-b4a6-6f1787476e95

    93. Dl-3-hydroxybutyric Acid, (contains Polymolecular Esterification Product)

    2.4 Create Date
    2005-03-26
    3 Chemical and Physical Properties
    Molecular Weight 104.10 g/mol
    Molecular Formula C4H8O3
    XLogP3-0.5
    Hydrogen Bond Donor Count2
    Hydrogen Bond Acceptor Count3
    Rotatable Bond Count2
    Exact Mass104.047344113 g/mol
    Monoisotopic Mass104.047344113 g/mol
    Topological Polar Surface Area57.5 Ų
    Heavy Atom Count7
    Formal Charge0
    Complexity69.3
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count1
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1