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    Technical details about CAS 1895-97-2, learn more about the structure, uses, toxicity, action, side effects and more

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    CAS 1895-97-2

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    2D Structure
    1. Also known as: 1199-77-5, 2-methyl-3-phenylacrylic acid, 1895-97-2, A-methylcinnamic acid, 2-propenoic acid, 2-methyl-3-phenyl-, (2e)-, (2e)-2-methyl-3-phenylprop-2-enoic acid
    Molecular Formula
    C10H10O2
    Molecular Weight
    162.18  g/mol
    InChI Key
    XNCRUNXWPDJHGV-BQYQJAHWSA-N
    FDA UNII
    52D2H37MVU
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    (E)-2-methyl-3-phenylprop-2-enoic acid
    2.1.2 InChI
    InChI=1S/C10H10O2/c1-8(10(11)12)7-9-5-3-2-4-6-9/h2-7H,1H3,(H,11,12)/b8-7+
    2.1.3 InChI Key
    XNCRUNXWPDJHGV-BQYQJAHWSA-N
    2.1.4 Canonical SMILES
    CC(=CC1=CC=CC=C1)C(=O)O
    2.1.5 Isomeric SMILES
    C/C(=C\C1=CC=CC=C1)/C(=O)O
    2.2 Other Identifiers
    2.2.1 UNII
    52D2H37MVU
    2.3 Synonyms
    2.3.1 Depositor-Supplied Synonyms

    1. 1199-77-5

    2. 2-methyl-3-phenylacrylic Acid

    3. 1895-97-2

    4. A-methylcinnamic Acid

    5. 2-propenoic Acid, 2-methyl-3-phenyl-, (2e)-

    6. (2e)-2-methyl-3-phenylprop-2-enoic Acid

    7. (e)-2-methyl-3-phenylprop-2-enoic Acid

    8. Cinnamic Acid, .alpha.-methyl-

    9. (e)-2-methyl-3-phenylacrylic Acid

    10. 2-methyl-3-phenyl-2-propenoic Acid

    11. .alpha.-methylcinnamic Acid

    12. 2-propenoic Acid, 2-methyl-3-phenyl-

    13. 52d2h37mvu

    14. Mfcd00002652

    15. Alpha-methyl Cinnamic Acid

    16. (2e)-2-methyl-3-phenylacrylic Acid

    17. Trans-alpha-methyl-cinnamic Acid

    18. Nsc-401113

    19. Einecs 214-847-0

    20. Ai3-23408

    21. Alpha -methylcinnamic Acid

    22. Alpha Methyl Cinnamic Acid

    23. Unii-52d2h37mvu

    24. Alpha-methylbenzeneacrylic Acid

    25. Alpha-methylcinnamic Acid, 99%

    26. Chembl3928021

    27. Xncrunxwpdjhgv-bqyqjahwsa-

    28. (e)-2-methyl-3-phenylacrylicacid

    29. Bdbm220119

    30. Dtxsid901044462

    31. E-2-methyl-3-phenylpropenoic Acid

    32. Albb-025649

    33. Zinc4521699

    34. Stl169372

    35. E-alpha-methyl-3-phenylpropenoic Acid

    36. 2-propenoic Acid, 2-methyl-3-phenyl

    37. Akos002272560

    38. Akos025310598

    39. Bs-3877

    40. Cs-w001011

    41. Nsc 401113

    42. Us9271961, Alpha-mehtylcinnamic Acid

    43. Ls-13763

    44. (2e)-2-methyl-3-phenyl-2-propenoic Acid

    45. 199m775

    46. A804404

    47. Ae-562/42007298

    48. Q27454814

    49. F0001-0326

    50. 4lv

    2.4 Create Date
    2005-03-27
    3 Chemical and Physical Properties
    Molecular Weight 162.18 g/mol
    Molecular Formula C10H10O2
    XLogP32.2
    Hydrogen Bond Donor Count1
    Hydrogen Bond Acceptor Count2
    Rotatable Bond Count2
    Exact Mass162.068079557 g/mol
    Monoisotopic Mass162.068079557 g/mol
    Topological Polar Surface Area37.3 Ų
    Heavy Atom Count12
    Formal Charge0
    Complexity188
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count1
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1
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