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    CAS 4835-90-9

    BUILDING BLOCK

    PharmaCompass
    Xls

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    2D Structure
    Also known as: 4835-90-9, Hydroxypivalic acid, 3-hydroxypivalic acid, 2,2-dimethyl-3-hydroxypropionic acid, 3-hydroxy-2,2-dimethylpropionic acid, Propanoic acid, 3-hydroxy-2,2-dimethyl-
    Molecular Formula
    C5H10O3
    Molecular Weight
    118.13  g/mol
    InChI Key
    RDFQSFOGKVZWKF-UHFFFAOYSA-N
    FDA UNII
    BJP2CXK56P
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    3-hydroxy-2,2-dimethylpropanoic acid
    2.1.2 InChI
    InChI=1S/C5H10O3/c1-5(2,3-6)4(7)8/h6H,3H2,1-2H3,(H,7,8)
    2.1.3 InChI Key
    RDFQSFOGKVZWKF-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    CC(C)(CO)C(=O)O
    2.2 Other Identifiers
    2.2.1 UNII
    BJP2CXK56P
    2.3 Synonyms
    2.3.1 Depositor-Supplied Synonyms

    1. 4835-90-9

    2. Hydroxypivalic Acid

    3. 3-hydroxypivalic Acid

    4. 2,2-dimethyl-3-hydroxypropionic Acid

    5. 3-hydroxy-2,2-dimethylpropionic Acid

    6. Propanoic Acid, 3-hydroxy-2,2-dimethyl-

    7. Bjp2cxk56p

    8. Mfcd00059953

    9. Nsc-115936

    10. Unii-bjp2cxk56p

    11. Einecs 225-419-8

    12. Nsc 115936

    13. 3- Hydroxypivalic Acid

    14. Beta-hydroxy Pivalic Acid

    15. Hydroxy Pivalic Acid

    16. Schembl38932

    17. Dtxsid4063616

    18. Zinc4100966

    19. 2,2-dimethy13-hydroxypropionic Acid

    20. 2,2-dimethylhydracrylic Acid

    21. 3-hydroxy-2,2-dimethylpropanoicacid

    22. Ac7895

    23. Geo-01199

    24. Nsc115936

    25. 2,2-dimethyl-3-hydroxypropanoic Acid

    26. Akos006229590

    27. 2,2-dimethyl-3-hydroxy Propanoic Acid

    28. 2,2-dimethyl-3-hydroxy Propionic Acid

    29. 2,2-dimethyl-3-hydroxy-propionic Acid

    30. 3-hydroxy-2,2-dimethyl-propionic Acid

    31. Am90214

    32. Cs-w011224

    33. 3-hydroxy-2,2-dimethylpropanoic Acid #

    34. Hydracrylic Acid, 2,2-dimethyl-

    35. Ac-29208

    36. As-15428

    37. Bp-30038

    38. Sy017233

    39. Db-027504

    40. Ft-0627156

    41. H0661

    42. En300-65050

    43. 3-hydroxy-2,2-dimethylpropanoic Acid, Aldrichcpr

    44. A847217

    45. Aq-917/40987623

    46. J-660015

    47. J-660055

    48. Q27274706

    49. Z1270446349

    50. .alpha.,.alpha.-dimethyl-.beta.-hydroxypropionic Acid

    51. 3-hydroxy-2,2-dimethyl-propanoicaci;propanoic Acid, 3-hydroxy-2,2-dimethyl-

    2.4 Create Date
    2005-03-26
    3 Chemical and Physical Properties
    Molecular Weight 118.13 g/mol
    Molecular Formula C5H10O3
    XLogP30
    Hydrogen Bond Donor Count2
    Hydrogen Bond Acceptor Count3
    Rotatable Bond Count2
    Exact Mass118.062994177 g/mol
    Monoisotopic Mass118.062994177 g/mol
    Topological Polar Surface Area57.5 Ų
    Heavy Atom Count8
    Formal Charge0
    Complexity95.8
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1