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    Technical details about CAS 595-91-5, learn more about the structure, uses, toxicity, action, side effects and more

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    CAS 595-91-5

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    2D Structure
    Also known as: 2,2,2-triphenylacetic acid, 595-91-5, Acetic acid, triphenyl-, Amg3vf7ebl, Chembl271207, Nsc-61
    Molecular Formula
    C20H16O2
    Molecular Weight
    288.3  g/mol
    InChI Key
    DCYGAPKNVCQNOE-UHFFFAOYSA-N
    FDA UNII
    AMG3VF7EBL
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    2,2,2-triphenylacetic acid
    2.1.2 InChI
    InChI=1S/C20H16O2/c21-19(22)20(16-10-4-1-5-11-16,17-12-6-2-7-13-17)18-14-8-3-9-15-18/h1-15H,(H,21,22)
    2.1.3 InChI Key
    DCYGAPKNVCQNOE-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    C1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=CC=C3)C(=O)O
    2.2 Other Identifiers
    2.2.1 UNII
    AMG3VF7EBL
    2.3 Synonyms
    2.3.1 Depositor-Supplied Synonyms

    1. 2,2,2-triphenylacetic Acid

    2. 595-91-5

    3. Acetic Acid, Triphenyl-

    4. Amg3vf7ebl

    5. Chembl271207

    6. Nsc-61

    7. Benzeneacetic Acid, .alpha.,.alpha.-diphenyl-

    8. Mfcd00004185

    9. Benzeneacetic Acid, Alpha,alpha-diphenyl-

    10. Triphenyl Acetic Acid

    11. Nsc 61

    12. Tritylformic Acid

    13. Einecs 209-873-4

    14. Tri Phenylacetic Acid

    15. Alpha-toluic Acid, Alpha,alpha-diphenyl-

    16. Unii-amg3vf7ebl

    17. Ai3-05839

    18. Maybridge1_006927

    19. 2,2,2-triphenylaceticacid

    20. Triphenylessigsa Currencyure

    21. Triphenylacetic Acid, 99%

    22. Nsc61

    23. Schembl45520

    24. 2,2,2-triphenyl-acetic Acid

    25. Hms561c19

    26. Amy5473

    27. Dtxsid80208204

    28. Zinc3860806

    29. Bdbm50371393

    30. Benzeneacetic Acid,.alpha.-diphenyl-

    31. Cs1005

    32. Stk332019

    33. Akos005439331

    34. .alpha.-toluic Acid,.alpha.-diphenyl-

    35. Ccg-252183

    36. Cs-w023181

    37. Ds-17416

    38. Sy109884

    39. Db-001435

    40. Bb 0261888

    41. Ft-0632478

    42. T1585

    43. .alpha.-toluic Acid, .alpha.,.alpha.-diphenyl-

    44. 595t915

    45. A832376

    46. J-640276

    47. J-800275

    2.4 Create Date
    2005-03-26
    3 Chemical and Physical Properties
    Molecular Weight 288.3 g/mol
    Molecular Formula C20H16O2
    XLogP34
    Hydrogen Bond Donor Count1
    Hydrogen Bond Acceptor Count2
    Rotatable Bond Count4
    Exact Mass288.115029749 g/mol
    Monoisotopic Mass288.115029749 g/mol
    Topological Polar Surface Area37.3 Ų
    Heavy Atom Count22
    Formal Charge0
    Complexity312
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1