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    CAS 19337-97-4

    BUILDING BLOCK

    PharmaCompass
    Xls

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    2D Structure
    Also known as: 19337-97-4, 1126-74-5, Trans-3-(3-pyridyl)acrylic acid, (e)-3-(pyridin-3-yl)acrylic acid, 3-(pyridin-3-yl)acrylic acid, 3-pyridineacrylic acid
    Molecular Formula
    C8H7NO2
    Molecular Weight
    149.15  g/mol
    InChI Key
    VUVORVXMOLQFMO-ONEGZZNKSA-N
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    (E)-3-pyridin-3-ylprop-2-enoic acid
    2.1.2 InChI
    InChI=1S/C8H7NO2/c10-8(11)4-3-7-2-1-5-9-6-7/h1-6H,(H,10,11)/b4-3+
    2.1.3 InChI Key
    VUVORVXMOLQFMO-ONEGZZNKSA-N
    2.1.4 Canonical SMILES
    C1=CC(=CN=C1)C=CC(=O)O
    2.1.5 Isomeric SMILES
    C1=CC(=CN=C1)/C=C/C(=O)O
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. 19337-97-4

    2. 1126-74-5

    3. Trans-3-(3-pyridyl)acrylic Acid

    4. (e)-3-(pyridin-3-yl)acrylic Acid

    5. 3-(pyridin-3-yl)acrylic Acid

    6. 3-pyridineacrylic Acid

    7. (2e)-3-pyridin-3-ylacrylic Acid

    8. (e)-3-pyridin-3-ylprop-2-enoic Acid

    9. (2e)-3-(3-pyridinyl)-2-propenoic Acid

    10. (2e)-3-(pyridin-3-yl)prop-2-enoic Acid

    11. 3-pyridinyl-acrylic Acid

    12. (e)-3-(3-pyridyl)acrylic Acid

    13. 3-(pyridin-3-yl)prop-2-enoic Acid

    14. Mfcd00006410

    15. 2-propenoic Acid, 3-(3-pyridinyl)-

    16. 3-(3-pyridyl)propenoic Acid

    17. Trans-3-pyridineacrylic Acid

    18. Einecs 214-424-0

    19. 2-propenoic Acid, 3-(3-pyridinyl)-, (2e)-

    20. Mls000673854

    21. Schembl334614

    22. Chembl1771759

    23. E-3-(3-pyridyl)propenoic Acid

    24. Trans-3-(3-pyridyl)acrylicacid

    25. .beta.-(3-pyridyl)acrylic Acid

    26. Vuvorvxmolqfmo-onegzznksa-

    27. Dtxsid701305000

    28. Hms1648f01

    29. Hms2744n23

    30. Zinc266005

    31. (e)-3-pyridin-3-yl-acrylic Acid

    32. Trans-3-(3-pyridyl) Acrylic Acid

    33. Trans-3-(3-pyridyl)-acrylic Acid

    34. Act07844

    35. Albb-007463

    36. Baa12674

    37. Bcp27261

    38. Str09431

    39. Stk500532

    40. Akos000263332

    41. Akos023552662

    42. Ps-4718

    43. (2e)-3-(3-pyridyl)-2-propenoic Acid

    44. Ncgc00245962-01

    45. Trans-3-(3-pyridyl)acrylic Acid, 99%

    46. As-61731

    47. Smr000315095

    48. Cs-0031477

    49. P1157

    50. (2e)-3-(3-pyridinyl)-2-propenoic Acid #

    51. En300-27847

    52. W-206427

    53. F0917-7548

    54. Trans-3-(3-pyridyl)acrylic Acid, Purum, >=98.0% (t)

    55. (e)-3-(pyridin-3-yl)acrylic Acid;3-(pyridin-3-yl)acrylic Acid

    56. (2e)-3-pyridin-3-ylacrylic Acid; 3-pyridin-3-ylacrylic Acid; Trans-3-(3-pyridyl)acrylic Acid; Trans-3-(pyridin-3-yl)acrylic Acid;3-pyridinyl-acrylic Acid

    2.3 Create Date
    2005-03-27
    3 Chemical and Physical Properties
    Molecular Weight 149.15 g/mol
    Molecular Formula C8H7NO2
    XLogP30.8
    Hydrogen Bond Donor Count1
    Hydrogen Bond Acceptor Count3
    Rotatable Bond Count2
    Exact Mass149.047678466 g/mol
    Monoisotopic Mass149.047678466 g/mol
    Topological Polar Surface Area50.2 Ų
    Heavy Atom Count11
    Formal Charge0
    Complexity166
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count1
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1