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    CAS 17745-04-9

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    CAS 17745-04-9
    Also known as: 17745-04-9, 2-(imidazo[1,2-a]pyridin-3-yl)acetic acid, Imidazo[1,2-a]pyridin-3-yl-acetic acid, Imidazo[1,2-a]pyridine-3-acetic acid, 2-imidazo[1,2-a]pyridin-3-ylacetic acid, Imidazo(1,2-a)pyridine-3-acetic acid
    Molecular Formula
    C9H8N2O2
    Molecular Weight
    176.17  g/mol
    InChI Key
    ZVBVKRNOISRONE-UHFFFAOYSA-N
    1 2D Structure

    CAS 17745-04-9

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    2-imidazo[1,2-a]pyridin-3-ylacetic acid
    2.1.2 InChI
    InChI=1S/C9H8N2O2/c12-9(13)5-7-6-10-8-3-1-2-4-11(7)8/h1-4,6H,5H2,(H,12,13)
    2.1.3 InChI Key
    ZVBVKRNOISRONE-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    C1=CC2=NC=C(N2C=C1)CC(=O)O
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. 17745-04-9

    2. 2-(imidazo[1,2-a]pyridin-3-yl)acetic Acid

    3. Imidazo[1,2-a]pyridin-3-yl-acetic Acid

    4. Imidazo[1,2-a]pyridine-3-acetic Acid

    5. 2-imidazo[1,2-a]pyridin-3-ylacetic Acid

    6. Imidazo(1,2-a)pyridine-3-acetic Acid

    7. Mfcd01720477

    8. Imidazo[1,2-a]pyridine-3-aceticacid

    9. 2-{imidazo[1,2-a]pyridin-3-yl}acetic Acid

    10. Imidazo(1,2-a)pyridine-3-aceticacid

    11. Brn 0779907

    12. (3-imidazo(1,2-a)pyridine)acetic Acid

    13. Schembl909196

    14. Dtxsid80170311

    15. Bcp10269

    16. Zinc87612805

    17. Akos005264354

    18. Fs-5271

    19. Sb34316

    20. Ac-25770

    21. Imidazo[1,2-a]pyridin-3-yl Acetic Acid

    22. Sy128989

    23. Db-065188

    24. Bb 0259902

    25. Cs-0037764

    26. Ft-0678433

    27. F30060

    28. A855339

    29. Q27461384

    30. Idl

    2.3 Create Date
    2005-08-08
    3 Chemical and Physical Properties
    Molecular Weight 176.17 g/mol
    Molecular Formula C9H8N2O2
    XLogP31.3
    Hydrogen Bond Donor Count1
    Hydrogen Bond Acceptor Count3
    Rotatable Bond Count2
    Exact Mass176.058577502 g/mol
    Monoisotopic Mass176.058577502 g/mol
    Topological Polar Surface Area54.6 Ų
    Heavy Atom Count13
    Formal Charge0
    Complexity208
    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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