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    Technical details about CAS 815-17-8, learn more about the structure, uses, toxicity, action, side effects and more

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    CAS 815-17-8

    Manufacturers/Suppliers

    PharmaCompass

    Farmhispania Group, a leading European CDMO in HPAPI Technologies & High Potency Fermentation.

    One Pharma aims to be one of the leading generic companies in Europe.

    2D Structure
    1. Also known as: 815-17-8, 3,3-dimethyl-2-oxobutanoic acid, Trimethylpyruvic acid, Butanoic acid, 3,3-dimethyl-2-oxo-, Tert-butylglyoxylic acid, Pyruvic acid, trimethyl-
    Molecular Formula
    C6H10O3
    Molecular Weight
    130.14  g/mol
    InChI Key
    IAWVHZJZHDSEOC-UHFFFAOYSA-N
    FDA UNII
    29CL615CLH
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    3,3-dimethyl-2-oxobutanoic acid
    2.1.2 InChI
    InChI=1S/C6H10O3/c1-6(2,3)4(7)5(8)9/h1-3H3,(H,8,9)
    2.1.3 InChI Key
    IAWVHZJZHDSEOC-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    CC(C)(C)C(=O)C(=O)O
    2.2 Other Identifiers
    2.2.1 UNII
    29CL615CLH
    2.3 Synonyms
    2.3.1 Depositor-Supplied Synonyms

    1. 815-17-8

    2. 3,3-dimethyl-2-oxobutanoic Acid

    3. Trimethylpyruvic Acid

    4. Butanoic Acid, 3,3-dimethyl-2-oxo-

    5. Tert-butylglyoxylic Acid

    6. Pyruvic Acid, Trimethyl-

    7. Glyoxylic Acid, Tert-butyl-

    8. Nsc-16648

    9. Butyric Acid, 3,3-dimethyl-2-oxo-

    10. 29cl615clh

    11. Mfcd00154352

    12. 3,3-dimethyl-2-oxo-butanoic Acid

    13. Trimethlpyruvic Acid

    14. Unii-29cl615clh

    15. Hsdb 5757

    16. Einecs 212-418-2

    17. Nsc 16648

    18. Trimethylpyruvic Acid.

    19. Trimethylpyroracemic Acid

    20. Trimethylbrenztraubensaure

    21. Ai3-11509

    22. Trimethylpyruvicacid

    23. Dsstox_cid_7314

    24. Dsstox_rid_78403

    25. Trimethylpyruvic Acid, 95%

    26. Dsstox_gsid_27314

    27. Schembl271740

    28. 3,3-dimethyl-2-oxobutanoicacid

    29. Chembl3182620

    30. Dtxsid9027314

    31. 2-oxo-3,3-dimethylbutyric Acid

    32. 3,3-dimethyl-2-oxo-butanoicaci

    33. Butyric Acid,3-dimethyl-2-oxo-

    34. 2-oxo-3,3-dimethylbutanoic Acid

    35. Trimethylpyruvic Acid, Aldrichcpr

    36. Butanoic Acid,3-dimethyl-2-oxo-

    37. Chebi:180663

    38. 3,3-dimethyl-2-oxo Butyric Acid

    39. Act03381

    40. Amy31056

    41. Bcp18772

    42. Nsc16648

    43. Zinc1747147

    44. Tox21_301454

    45. Bbl101707

    46. Sc1212

    47. Stl555503

    48. Akos006223638

    49. Cs-w005305

    50. Ncgc00255112-01

    51. As-54581

    52. Beta,beta-dimethyl-alpha-oxo-butyric Acid

    53. Cas-815-17-8

    54. D3609

    55. Ft-0657523

    56. En300-76124

    57. A840151

    58. Q-201887

    59. Q27254409

    60. Trimethylpyruvic Acid 3,3-dimethyl-2-oxobutanoic Acid

    61. Z1270384364

    2.4 Create Date
    2005-03-26
    3 Chemical and Physical Properties
    Molecular Weight 130.14 g/mol
    Molecular Formula C6H10O3
    XLogP31.1
    Hydrogen Bond Donor Count1
    Hydrogen Bond Acceptor Count3
    Rotatable Bond Count2
    Exact Mass130.062994177 g/mol
    Monoisotopic Mass130.062994177 g/mol
    Topological Polar Surface Area54.4 Ų
    Heavy Atom Count9
    Formal Charge0
    Complexity141
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1
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