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    CAS 73401-74-8

    BUILDING BLOCK

    PharmaCompass
    Xls

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    2D Structure
    Also known as: 73401-74-8, 2-(4-(hydroxymethyl)phenyl)acetic acid, 2-[4-(hydroxymethyl)phenyl]acetic acid, 4-(hydroxymethyl)phenylaceticacid, 4-hydroxymethylphenylacetic acid, Mfcd00065692
    Molecular Formula
    C9H10O3
    Molecular Weight
    166.17  g/mol
    InChI Key
    FWZBPBKAANKOJQ-UHFFFAOYSA-N
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    2-[4-(hydroxymethyl)phenyl]acetic acid
    2.1.2 InChI
    InChI=1S/C9H10O3/c10-6-8-3-1-7(2-4-8)5-9(11)12/h1-4,10H,5-6H2,(H,11,12)
    2.1.3 InChI Key
    FWZBPBKAANKOJQ-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    C1=CC(=CC=C1CC(=O)O)CO
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. 73401-74-8

    2. 2-(4-(hydroxymethyl)phenyl)acetic Acid

    3. 2-[4-(hydroxymethyl)phenyl]acetic Acid

    4. 4-(hydroxymethyl)phenylaceticacid

    5. 4-hydroxymethylphenylacetic Acid

    6. Mfcd00065692

    7. [4-(hydroxymethyl)phenyl]acetic Acid

    8. Benzeneacetic Acid, 4-(hydroxymethyl)-

    9. Benzeneacetic Acid,4-(hydroxymethyl)-

    10. Schembl110198

    11. 4-hydro-xymethylphenylacetic Acid

    12. Dtxsid20391028

    13. (4-hydroxymethylphenyl)acetic Acid

    14. Act08019

    15. Amy14295

    16. Zinc2539238

    17. (4-hydroxymethyl-phenyl)-acetic Acid

    18. Akos015894328

    19. 2-(4-(hydroxymethyl)phenyl)aceticacid

    20. Cs-w004128

    21. Ps-5338

    22. 2-[4-(hydroxymethyl)phenyl]ethanoic Acid

    23. 4-(hydroxymethyl)phenylacetic Acid, 98%

    24. Sy046320

    25. Db-055759

    26. Ft-0641458

    27. H1473

    28. H10579

    29. 401h748

    30. A837821

    31. F0001-1856

    2.3 Create Date
    2005-09-06
    3 Chemical and Physical Properties
    Molecular Weight 166.17 g/mol
    Molecular Formula C9H10O3
    XLogP30.6
    Hydrogen Bond Donor Count2
    Hydrogen Bond Acceptor Count3
    Rotatable Bond Count3
    Exact Mass166.062994177 g/mol
    Monoisotopic Mass166.062994177 g/mol
    Topological Polar Surface Area57.5 Ų
    Heavy Atom Count12
    Formal Charge0
    Complexity148
    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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