Please Wait
Applying Filters...
menu
    • menu
    ChemWerth works in generic API development & supply, non-infringement patent strategy development and regulatory support.

    Virtual Booth

    Contact Supplier

    Cohance Lifesciences, offers full range of CDMO services for small molecule APIs, intermediates, ADCs, Pellets and Formulations.

    Virtual Booth

    Contact Supplier

    Rusan Pharma: Over 30 years of specializing in the treatment of Addiction and Pain Management.

    Virtual Booth

    Contact Supplier

    Granules India Limited has high volume world-class facilities for APIs, PFIs, & FDFs, serving customers in over 80 countries.

    Virtual Booth

    Contact Supplier

    Fishfa Biogenics: Renowned Manufacturer, & Exporter of Tacrolimus & Mupirocin API.

    Virtual Booth

    Contact Supplier

    pharmacompass-2-m-2025-11-03

    Virtual Booth

    An Enquiry

    Menu

    CAS 85-52-9

    BUILDING BLOCK

    PharmaCompass
    Xls

    Filters

    clear-filterReset all filters
    2D Structure
    Also known as: 85-52-9, O-benzoylbenzoic acid, Benzoic acid, 2-benzoyl-, 2-carboxybenzophenone, Benzophenone-2-carboxylic acid, Benzoic acid, o-benzoyl-
    Molecular Formula
    C14H10O3
    Molecular Weight
    226.23  g/mol
    InChI Key
    FGTYTUFKXYPTML-UHFFFAOYSA-N
    FDA UNII
    1N20Y812XW
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    2-benzoylbenzoic acid
    2.1.2 InChI
    InChI=1S/C14H10O3/c15-13(10-6-2-1-3-7-10)11-8-4-5-9-12(11)14(16)17/h1-9H,(H,16,17)
    2.1.3 InChI Key
    FGTYTUFKXYPTML-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    C1=CC=C(C=C1)C(=O)C2=CC=CC=C2C(=O)O
    2.2 Other Identifiers
    2.2.1 UNII
    1N20Y812XW
    2.3 Synonyms
    2.3.1 Depositor-Supplied Synonyms

    1. 85-52-9

    2. O-benzoylbenzoic Acid

    3. Benzoic Acid, 2-benzoyl-

    4. 2-carboxybenzophenone

    5. Benzophenone-2-carboxylic Acid

    6. Benzoic Acid, O-benzoyl-

    7. O-carboxybenzophenone

    8. Benzophenone-2-carbonic Acid

    9. 2-benzoquinonecarboxylic Acid

    10. Ortho-benzoylbenzoic Acid

    11. Benzoylbenzoic Acid

    12. 2-(phenylcarbonyl)benzoic Acid

    13. 2-benzoyl-benzoic Acid

    14. Nsc 6646

    15. O-benzoyl Benzoic Acid

    16. Mfcd00002472

    17. Chembl196812

    18. 1n20y812xw

    19. Nsc-6646

    20. Skp 10a

    21. Hsdb 5249

    22. Einecs 201-612-2

    23. Brn 1107841

    24. Unii-1n20y812xw

    25. Ai3-15222

    26. Benzoylbenzoesaure

    27. 1-carboxy-2-phenylcarbonylbenzene

    28. Benzoyl Benzoic Acid

    29. O-benzoyl-benzoic Acid

    30. 0-benzoyl Benzoic Acid

    31. 2-benzoyl Benzoic Acid

    32. (pr)-2-benzoylbenzoic Acid

    33. (ps)-2-benzoylbenzoic Acid

    34. Oprea1_391180

    35. Schembl76332

    36. 27458-06-6

    37. 4-10-00-02977 (beilstein Handbook Reference)

    38. 2-benzoylbenzoic Acid, 98%

    39. Iflab1_004537

    40. Dtxsid6058924

    41. Nsc6646

    42. Hms1424o05

    43. Zinc157193

    44. Str03489

    45. Bbl007937

    46. Bdbm50174202

    47. Stk387490

    48. Akos000118995

    49. Ac-2859

    50. Ccg-202854

    51. Idi1_010292

    52. 2-benzoquinonecarboxylic Acid [hsdb]

    53. B0103

    54. Bb 0220554

    55. Cs-0070866

    56. Eu-0033235

    57. Ft-0611294

    58. E80960

    59. Ag-205/01795007

    60. Sr-01000596918

    61. Q-200252

    62. Sr-01000596918-1

    63. Q27252633

    64. F0902-7613

    2.4 Create Date
    2005-03-26
    3 Chemical and Physical Properties
    Molecular Weight 226.23 g/mol
    Molecular Formula C14H10O3
    XLogP32.3
    Hydrogen Bond Donor Count1
    Hydrogen Bond Acceptor Count3
    Rotatable Bond Count3
    Exact Mass226.062994177 g/mol
    Monoisotopic Mass226.062994177 g/mol
    Topological Polar Surface Area54.4 Ų
    Heavy Atom Count17
    Formal Charge0
    Complexity292
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1