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    Chemistry

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    Also known as: Imidazole-4-acetic acid, 645-65-8, 2-(1h-imidazol-5-yl)acetic acid, 1h-imidazole-4-acetic acid, 4(5)-imidazoleacetate, Imidazolyl-4-acetic acid
    Molecular Formula
    C5H6N2O2
    Molecular Weight
    126.11  g/mol
    InChI Key
    PRJKNHOMHKJCEJ-UHFFFAOYSA-N
    FDA UNII
    IGZ30Z24EJ
    Imidazole Acetic Acid
    1 2D Structure

    Imidazole Acetic Acid

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    2-(1H-imidazol-5-yl)acetic acid
    2.1.2 InChI
    InChI=1S/C5H6N2O2/c8-5(9)1-4-2-6-3-7-4/h2-3H,1H2,(H,6,7)(H,8,9)
    2.1.3 InChI Key
    PRJKNHOMHKJCEJ-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    C1=C(NC=N1)CC(=O)O
    2.2 Other Identifiers
    2.2.1 UNII
    IGZ30Z24EJ
    2.3 Synonyms
    2.3.1 MeSH Synonyms

    1. Imac

    2. Imidazole-4-acetic Acid

    3. Imidazole-4-acetic Acid Hydrochloride

    4. Imidazole-4-acetic Acid, Sodium Salt

    5. Imidazolyl-4-acetic Acid

    2.3.2 Depositor-Supplied Synonyms

    1. Imidazole-4-acetic Acid

    2. 645-65-8

    3. 2-(1h-imidazol-5-yl)acetic Acid

    4. 1h-imidazole-4-acetic Acid

    5. 4(5)-imidazoleacetate

    6. Imidazolyl-4-acetic Acid

    7. 2-(1h-imidazol-4-yl)acetic Acid

    8. 4-imidazoleacetic Acid

    9. 4-imidazoleacetate

    10. Imidazol-4-ylacetic Acid

    11. Imidazole-4-acetate

    12. Imac

    13. (1h-imidazol-4-yl)-acetic Acid

    14. 1h-imidazol-4-ylacetic Acid

    15. Imidazole Acetic Acid

    16. Chebi:16974

    17. Imidazole-5-acetic Acid

    18. Lopac-i-0375

    19. Chembl784

    20. Igz30z24ej

    21. Nsc-60104

    22. Izc

    23. Imidazole-4-aceticacid

    24. Unii-igz30z24ej

    25. 1h-imidazole-5-acetic Acid

    26. Imidazoleacetic Acid (van)

    27. Nsc 60104

    28. Imidazole-4acetic Acid

    29. Spectrum_001878

    30. Specplus_000672

    31. Schembl49

    32. Imidazol-5-ylacetic Acid

    33. Biomol-nt_000244

    34. Lopac0_000609

    35. 1h-imidazol-5-ylacetic Acid

    36. Kbioss_002404

    37. Divk1c_006768

    38. Bpbio1_000793

    39. 1h-imidazol-4-ylacetic Acid #

    40. Bdbm85712

    41. Chebi:70804

    42. Kbio1_001712

    43. Kbio2_002399

    44. Kbio2_004967

    45. Kbio2_007535

    46. Dtxsid50214751

    47. (3h-imidazol-4-yl)-acetic Acid

    48. 2-(1h-imidazol-5-yl)aceticacid

    49. (imidazol-4-yl)acetic Acid

    50. Act06174

    51. Amy39839

    52. Nsc60104

    53. 2-(1h-imidazole-5-yl)acetic Acid

    54. Bdbm50026410

    55. Mfcd01570463

    56. Nsc_96215

    57. Pdsp1_000242

    58. Pdsp2_000241

    59. Zinc19735138

    60. Akos005264531

    61. Akos015854537

    62. Ccg-204698

    63. Sdccgsbi-0050591.p003

    64. Ncgc00015544-01

    65. Ncgc00015544-02

    66. Ncgc00015544-03

    67. Ncgc00015544-04

    68. Ncgc00015544-05

    69. Ncgc00015544-06

    70. Ncgc00162202-01

    71. Ncgc00162202-02

    72. Ncgc00162202-03

    73. Cas_645-65-8

    74. Ts-01654

    75. Db-073513

    76. Hy-113413

    77. Bb 0259915

    78. Cs-0059400

    79. Ft-0660552

    80. C02835

    81. C16158

    82. 645i658

    83. A835408

    84. A846463

    85. C2367a7f-efbf-4ace-a441-496e7f6b49fd

    86. Q27891434

    87. (1h-imidazol-4-yl)acetic Acid;imidazole-4-acetic Acid;2-(1h-imidazol-5-yl)acetic Acid

    2.4 Create Date
    2004-09-16
    3 Chemical and Physical Properties
    Molecular Weight 126.11 g/mol
    Molecular Formula C5H6N2O2
    XLogP3-0.4
    Hydrogen Bond Donor Count2
    Hydrogen Bond Acceptor Count3
    Rotatable Bond Count2
    Exact Mass126.042927438 g/mol
    Monoisotopic Mass126.042927438 g/mol
    Topological Polar Surface Area66 Ų
    Heavy Atom Count9
    Formal Charge0
    Complexity116
    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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