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    Technical details about CAS 178306-47-3, learn more about the structure, uses, toxicity, action, side effects and more

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    CAS 178306-47-3

    Manufacturers/Suppliers

    PharmaCompass

    Farmhispania Group, a leading European CDMO in HPAPI Technologies & High Potency Fermentation.

    One Pharma aims to be one of the leading generic companies in Europe.

    2D Structure
    1. Also known as: 178306-47-3, 2-hydroxy-3-methoxy-3,3-diphenylpropanoic acid methyl ester, Benzenepropanoic acid,a-hydroxy-b-methoxy-b-phenyl-,methyl ester, Methyl(2s)-2-hydroxy-3-methoxy-3,3-diphenylpropanoate, Schembl571027, Amy1788
    Molecular Formula
    C17H18O4
    Molecular Weight
    286.32  g/mol
    InChI Key
    BEPLSLADXOJCBY-UHFFFAOYSA-N
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    methyl 2-hydroxy-3-methoxy-3,3-diphenylpropanoate
    2.1.2 InChI
    InChI=1S/C17H18O4/c1-20-16(19)15(18)17(21-2,13-9-5-3-6-10-13)14-11-7-4-8-12-14/h3-12,15,18H,1-2H3
    2.1.3 InChI Key
    BEPLSLADXOJCBY-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    COC(=O)C(C(C1=CC=CC=C1)(C2=CC=CC=C2)OC)O
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. 178306-47-3

    2. 2-hydroxy-3-methoxy-3,3-diphenylpropanoic Acid Methyl Ester

    3. Benzenepropanoic Acid,a-hydroxy-b-methoxy-b-phenyl-,methyl Ester

    4. Methyl(2s)-2-hydroxy-3-methoxy-3,3-diphenylpropanoate

    5. Schembl571027

    6. Amy1788

    7. Dtxsid00441535

    8. Bcp04676

    9. Bbl035638

    10. Mfcd09833706

    11. Stl442453

    12. Akos015856274

    13. Ac-9020

    14. Ce-0230

    15. Sb46362

    16. Db-021164

    17. Cs-0150923

    18. Ft-0669743

    19. F16816

    20. 306h473

    21. A881404

    22. Methyl 2-hydroxy-3-methoxy-3,3-diphenylpropionate

    23. Methyl-2-hydroxy-3-methoxy-3,3-diphenylpropionate

    24. Methyl2-hydroxy-3-methoxy-3,3-diphenylpropanoate

    25. J-522023

    26. Methyl 2-hydroxy-3-methoxy-3,3-diphenyl-propionate

    27. 2-hydroxy-3,3-diphenyl-3-methoxypropanoic Acid Methyl Ester

    28. Benzenepropanoic Acid,a-hydroxy-b-methoxy-b-phenyl-,methyl Este

    29. Benzenepropanoic Acid, Alpha-hydroxy-beta-methoxy-beta-phenyl-, Methyl Ester

    2.3 Create Date
    2006-10-25
    3 Chemical and Physical Properties
    Molecular Weight 286.32 g/mol
    Molecular Formula C17H18O4
    XLogP32.4
    Hydrogen Bond Donor Count1
    Hydrogen Bond Acceptor Count4
    Rotatable Bond Count6
    Exact Mass286.12050905 g/mol
    Monoisotopic Mass286.12050905 g/mol
    Topological Polar Surface Area55.8 Ų
    Heavy Atom Count21
    Formal Charge0
    Complexity312
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count1
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1
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