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    4-FORMYL PHENOXY ACETIC ACID

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    2D Structure
    Also known as: 22042-71-3, 2-(4-formylphenoxy)acetic acid, (4-formylphenoxy)acetic acid, Acetic acid, (4-formylphenoxy)-, P-formylphenoxyacetic acid, (p-formylphenoxy)acetic acid
    Molecular Formula
    C9H8O4
    Molecular Weight
    180.16  g/mol
    InChI Key
    OYNIIKHNXNPSAG-UHFFFAOYSA-N
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    2-(4-formylphenoxy)acetic acid
    2.1.2 InChI
    InChI=1S/C9H8O4/c10-5-7-1-3-8(4-2-7)13-6-9(11)12/h1-5H,6H2,(H,11,12)
    2.1.3 InChI Key
    OYNIIKHNXNPSAG-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    C1=CC(=CC=C1C=O)OCC(=O)O
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. 22042-71-3

    2. 2-(4-formylphenoxy)acetic Acid

    3. (4-formylphenoxy)acetic Acid

    4. Acetic Acid, (4-formylphenoxy)-

    5. P-formylphenoxyacetic Acid

    6. (p-formylphenoxy)acetic Acid

    7. 4-(carboxymethyloxy)benzaldehyde

    8. Acetic Acid, 2-(4-formylphenoxy)-

    9. 4-formyl Phenoxy Acetic Acid

    10. 4-formylphenoxyactic Acid

    11. 4-formylphenoxy Acetic Acid

    12. 4-carboxymethoxy-benzaldehyde

    13. Schembl349060

    14. (4-formyl Phenoxy)acetic Acid

    15. 2-(4-formylphenoxy)aceticacid

    16. 4-(carboxymethoxy)benzaldehyde

    17. 4-formylphenoxyaceticacid

    18. (4-formyl-phenoxy)-acetic Acid

    19. Dtxsid9066754

    20. Acetic Acid, (p-formylphenoxy)-

    21. Zinc563143

    22. Albb-004728

    23. Einecs 244-749-3

    24. Bbl023166

    25. Mfcd00016613

    26. Stk187120

    27. Acetic Acid, 2-(4-formylphenyloxy)-

    28. Akos000113209

    29. Upcmld0enat5799832:001

    30. As-19908

    31. 4-formylphenoxyacetic Acid, >=97.0% (t)

    32. Cs-0137169

    33. F0319

    34. Ft-0616775

    35. A878784

    36. Ag-205/04819042

    37. J-014440

    2.3 Create Date
    2005-03-27
    3 Chemical and Physical Properties
    Molecular Weight 180.16 g/mol
    Molecular Formula C9H8O4
    XLogP30.8
    Hydrogen Bond Donor Count1
    Hydrogen Bond Acceptor Count4
    Rotatable Bond Count4
    Exact Mass180.04225873 g/mol
    Monoisotopic Mass180.04225873 g/mol
    Topological Polar Surface Area63.6 Ų
    Heavy Atom Count13
    Formal Charge0
    Complexity182
    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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