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    2H -Pyran-2-One

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    2D Structure
    Also known as: Alpha-pyrone, 504-31-4, Pyran-2-one, Pyranone, 2-pyranone, 2-pyrone
    Molecular Formula
    C5H4O2
    Molecular Weight
    96.08  g/mol
    InChI Key
    ZPSJGADGUYYRKE-UHFFFAOYSA-N
    FDA UNII
    8WW45I202V
    -pyrone is a natural product found in Kerria japonica, Sanguisorba canadensis, and other organisms with data available.
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    pyran-2-one
    2.1.2 InChI
    InChI=1S/C5H4O2/c6-5-3-1-2-4-7-5/h1-4H
    2.1.3 InChI Key
    ZPSJGADGUYYRKE-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    C1=CC(=O)OC=C1
    2.2 Other Identifiers
    2.2.1 UNII
    8WW45I202V
    2.3 Synonyms
    2.3.1 MeSH Synonyms

    1. 2-pyrone

    2.3.2 Depositor-Supplied Synonyms

    1. Alpha-pyrone

    2. 504-31-4

    3. Pyran-2-one

    4. Pyranone

    5. 2-pyranone

    6. 2-pyrone

    7. Coumalin

    8. Pyrone

    9. A-pyrone

    10. .alpha.-pyrone

    11. 2-oxo-2h-pyran

    12. Chembl1934663

    13. Chebi:37965

    14. 8ww45i202v

    15. Oxidopyrylium

    16. Unii-8ww45i202v

    17. Einecs 207-990-5

    18. 2h-pyrane-2-one

    19. 1,2-pyrone

    20. 2h-pyran, 2-oxo-

    21. 2h-pyran-2-one, 90%

    22. Dtxsid50198441

    23. Zinc1846601

    24. Bdbm50360796

    25. Geo-04164

    26. Mfcd00006639

    27. Cs-w013734

    28. As-56552

    29. Db-051773

    30. Ft-0622198

    31. P1183

    32. 2h-pyran-2-one, Technical, >=90% (gc)

    33. 5-hydroxy-2,4-pentadienoic Acid Delta-lactone

    34. F16388

    35. 5-hydroxy-2,4-pentadienoic Acid Delta -lactone

    36. A828125

    37. Q209475

    38. 2,4-pentadienoic Acid, 5-hydroxy-, .delta.-lactone

    2.4 Create Date
    2005-03-27
    3 Chemical and Physical Properties
    Molecular Weight 96.08 g/mol
    Molecular Formula C5H4O2
    XLogP30.8
    Hydrogen Bond Donor Count0
    Hydrogen Bond Acceptor Count2
    Rotatable Bond Count0
    Exact Mass96.021129366 g/mol
    Monoisotopic Mass96.021129366 g/mol
    Topological Polar Surface Area26.3 Ų
    Heavy Atom Count7
    Formal Charge0
    Complexity133
    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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