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    Technical details about 104-03-0, learn more about the structure, uses, toxicity, action, side effects and more

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    104-03-0

    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: 104-03-0, P-nitrophenylacetic acid, 2-(4-nitrophenyl)acetic acid, (4-nitrophenyl)acetic acid, 4-nitrobenzeneacetic acid, Benzeneacetic acid, 4-nitro-
    Molecular Formula
    C8H7NO4
    Molecular Weight
    181.15  g/mol
    InChI Key
    YBADLXQNJCMBKR-UHFFFAOYSA-N
    FDA UNII
    KLB4P626RE
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    2-(4-nitrophenyl)acetic acid
    2.1.2 InChI
    InChI=1S/C8H7NO4/c10-8(11)5-6-1-3-7(4-2-6)9(12)13/h1-4H,5H2,(H,10,11)
    2.1.3 InChI Key
    YBADLXQNJCMBKR-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    C1=CC(=CC=C1CC(=O)O)[N+](=O)[O-]
    2.2 Other Identifiers
    2.2.1 UNII
    KLB4P626RE
    2.3 Synonyms
    2.3.1 MeSH Synonyms

    1. 2-(4-nitrophenoxy)acetic Acid

    2. 4-nitrobenzeneacetic Acid

    2.3.2 Depositor-Supplied Synonyms

    1. 104-03-0

    2. P-nitrophenylacetic Acid

    3. 2-(4-nitrophenyl)acetic Acid

    4. (4-nitrophenyl)acetic Acid

    5. 4-nitrobenzeneacetic Acid

    6. Benzeneacetic Acid, 4-nitro-

    7. 2-(p-nitrophenyl)acetic Acid

    8. Acetic Acid, (p-nitrophenyl)-

    9. Mfcd00007383

    10. 4-nitrophenylaetic Acid

    11. Klb4p626re

    12. (4-nitro-phenyl)-acetic Acid

    13. Nsc-5398

    14. 4-nitrophenylaceticacid

    15. (p-nitrophenyl)acetic Acid

    16. 1ajn

    17. Ccris 2338

    18. Nsc 5398

    19. 4-nitrobenzencacetic Acid

    20. Einecs 203-168-5

    21. Unii-klb4p626re

    22. 4-nitro-benzeneacetic Acid,

    23. Ai3-15093

    24. P-nitrophenyl Acetic Acid

    25. 4-nitrophenylacetate Acid

    26. 4-nitrophenyl Acetic Acid

    27. (p-nitrophenyl) Acetic Acid

    28. (4-nitrophenyl)-acetic Acid

    29. Oprea1_127303

    30. Schembl76204

    31. Dtxsid6059289

    32. Schembl13941612

    33. Chebi:40443

    34. Nsc5398

    35. Bdbm237235

    36. Hms3604g17

    37. Cs-d1370

    38. Str00634

    39. P-nitro-.alpha.-toluic Acid

    40. Bbl012452

    41. Ccg-41548

    42. Stk054869

    43. 4-nitrophenylacetic Acid [mi]

    44. Akos000104752

    45. Akos040744590

    46. Ac-2513

    47. Db07331

    48. S12333

    49. Sy001731

    50. Am20060474

    51. Bb 0244245

    52. Ft-0619270

    53. N0227

    54. En300-20166

    55. 4-nitrophenylacetic Acid, Reagentplus(r), 99%

    56. Ae-641/02392058

    57. Sr-01000631614-1

    58. W-108829

    59. Q27096559

    60. 4-nitrophenylacetic Acid, Vetec(tm) Reagent Grade, 98%

    61. F2191-0048

    62. Z104477118

    63. Inchi=1/c8h7no4/c10-8(11)5-6-1-3-7(4-2-6)9(12)13/h1-4h,5h2,(h,10,11

    2.4 Create Date
    2005-03-25
    3 Chemical and Physical Properties
    Molecular Weight 181.15 g/mol
    Molecular Formula C8H7NO4
    XLogP31.4
    Hydrogen Bond Donor Count1
    Hydrogen Bond Acceptor Count4
    Rotatable Bond Count2
    Exact Mass g/mol
    Monoisotopic Mass g/mol
    Topological Polar Surface Area83.1
    Heavy Atom Count13
    Formal Charge0
    Complexity203
    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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