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    CAS 5669-19-2

    BUILDING BLOCK

    PharmaCompass
    Xls

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    2D Structure
    Also known as: 5669-19-2, 2-benzylprop-2-enoic acid, 2-benzyl acrylic acid, 62479-28-1, 2-methylene-3-phenylpropanoic acid, 2-methylene-3-phenylpropionic acid
    Molecular Formula
    C10H10O2
    Molecular Weight
    162.18  g/mol
    InChI Key
    RYNDYESLUKWOEE-UHFFFAOYSA-N
    FDA UNII
    EWV0S2AX5B
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    2-benzylprop-2-enoic acid
    2.1.2 InChI
    InChI=1S/C10H10O2/c1-8(10(11)12)7-9-5-3-2-4-6-9/h2-6H,1,7H2,(H,11,12)
    2.1.3 InChI Key
    RYNDYESLUKWOEE-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    C=C(CC1=CC=CC=C1)C(=O)O
    2.2 Other Identifiers
    2.2.1 UNII
    EWV0S2AX5B
    2.3 Synonyms
    2.3.1 Depositor-Supplied Synonyms

    1. 5669-19-2

    2. 2-benzylprop-2-enoic Acid

    3. 2-benzyl Acrylic Acid

    4. 62479-28-1

    5. 2-methylene-3-phenylpropanoic Acid

    6. 2-methylene-3-phenylpropionic Acid

    7. Ewv0s2ax5b

    8. Nsc-192640

    9. Chembl3799698

    10. Mfcd00854174

    11. 2-benzylprop-2-enoic Acid (2-benzylacrylic Acid)

    12. Benzyl Acrylic Acid

    13. Benzylacrylic Acid

    14. A-benzylacrylic Acid

    15. Nsc192640

    16. 2-benzyl-acrylic Acid

    17. Alpha-benzylacrylic Acid

    18. 2-(benzyl)acrylic Acid

    19. 2-propenoic Acid,(phenylmethyl)- (9ci)

    20. Unii-ewv0s2ax5b

    21. Schembl41907

    22. Racecadotril Impurity E [ep]

    23. 2-(phenylmethyl)propenoic Acid

    24. Dtxsid60972138

    25. 2-(phenylmethyl)-2-propenoic Acid

    26. 2-(phenylmethyl)prop-2-enoic Acid

    27. Alpha-methylenebenzenepropanoic Acid

    28. Act00329

    29. Bcp22631

    30. Zinc1732823

    31. Bdbm50167963

    32. Akos006283947

    33. Benzenepropanoic Acid, Alpha-methylene-

    34. Cs-w005088

    35. Ps-4007

    36. 2-propenoic Acid,(phenylmethyl)-(9ci)

    37. Sy006039

    38. Db-005190

    39. B3409

    40. Ft-0601023

    41. Ft-0655339

    42. Racecadotril Impurity E [ep Impurity]

    43. F13740

    44. 669b192

    45. A831146

    46. Benzenepropanoic Acid, .alpha.-methylene-

    47. J-508116

    2.4 Create Date
    2005-03-26
    3 Chemical and Physical Properties
    Molecular Weight 162.18 g/mol
    Molecular Formula C10H10O2
    XLogP32.3
    Hydrogen Bond Donor Count1
    Hydrogen Bond Acceptor Count2
    Rotatable Bond Count3
    Exact Mass162.068079557 g/mol
    Monoisotopic Mass162.068079557 g/mol
    Topological Polar Surface Area37.3 Ų
    Heavy Atom Count12
    Formal Charge0
    Complexity178
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1