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    Technical details about CAS 710-11-2, learn more about the structure, uses, toxicity, action, side effects and more

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    CAS 710-11-2

    BUILDING BLOCK

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    2D Structure
    Also known as: 2-oxo-4-phenylbutanoic acid, 710-11-2, 2-oxo-4-phenyl-butyric acid, Chembl16281, Mfcd00969471, 2-oxo-4-phenylbutanoate
    Molecular Formula
    C10H10O3
    Molecular Weight
    178.18  g/mol
    InChI Key
    PPKAIMDMNWBOKN-UHFFFAOYSA-N
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    2-oxo-4-phenylbutanoic acid
    2.1.2 InChI
    InChI=1S/C10H10O3/c11-9(10(12)13)7-6-8-4-2-1-3-5-8/h1-5H,6-7H2,(H,12,13)
    2.1.3 InChI Key
    PPKAIMDMNWBOKN-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    C1=CC=C(C=C1)CCC(=O)C(=O)O
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. 2-oxo-4-phenylbutanoic Acid

    2. 710-11-2

    3. 2-oxo-4-phenyl-butyric Acid

    4. Chembl16281

    5. Mfcd00969471

    6. 2-oxo-4-phenylbutanoate

    7. 2-oxo-4-phenylbutanoicacid

    8. 2-oxo-4-phenyl-butanoic Acid

    9. Benzenebutanoic Acid, Alpha-oxo-

    10. Benzylpyruvic Acid

    11. Einecs 211-916-7

    12. Oxobenzenebutanoic Acid

    13. 4-phenyl-2-oxobutyric Acid

    14. 4-phenyl-2-oxobutanoic Acid

    15. Benzenebutanoic Acid, A-oxo-

    16. 2-oxo-4-phenyl Butyric Acid

    17. Schembl258545

    18. 4-phenyl-2-ketobutanoic Acid

    19. Dtxsid10221224

    20. Chebi:181422

    21. Ppkaimdmnwbokn-uhfffaoysa-n

    22. 2-oxo-4-phenyl-butyricacid

    23. Bdbm50125828

    24. Akos005174543

    25. Ac-3539

    26. Cs-w019322

    27. Ds-3613

    28. 2-oxo-4-phenyl-butyric Acid, Aldrichcpr

    29. Ft-0632864

    30. O0389

    31. C20327

    32. En300-143516

    33. W-104537

    34. Z1201620725

    2.3 Create Date
    2005-08-01
    3 Chemical and Physical Properties
    Molecular Weight 178.18 g/mol
    Molecular Formula C10H10O3
    XLogP31.6
    Hydrogen Bond Donor Count1
    Hydrogen Bond Acceptor Count3
    Rotatable Bond Count4
    Exact Mass g/mol
    Monoisotopic Mass g/mol
    Topological Polar Surface Area54.4
    Heavy Atom Count13
    Formal Charge0
    Complexity192
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1