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    Technical details about CAS 61260-15-9, learn more about the structure, uses, toxicity, action, side effects and more

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    CAS 61260-15-9

    BUILDING BLOCK

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    2D Structure
    Also known as: 61260-15-9, Dimethyl 3-oxo-1,3-dihydroisobenzofuran-1-ylphosphonate, 3-oxo-1,3-dihydroisobenzofuran-1-ylphosphonic acid, 3-dimethoxyphosphoryl-3h-2-benzofuran-1-one, Mfcd16883476, 3-dimethoxyphosphoryl-3h-isobenzofuran-1-one
    Molecular Formula
    C10H11O5P
    Molecular Weight
    242.16  g/mol
    InChI Key
    KEKUNQAVGWOYDW-UHFFFAOYSA-N
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    3-dimethoxyphosphoryl-3H-2-benzofuran-1-one
    2.1.2 InChI
    InChI=1S/C10H11O5P/c1-13-16(12,14-2)10-8-6-4-3-5-7(8)9(11)15-10/h3-6,10H,1-2H3
    2.1.3 InChI Key
    KEKUNQAVGWOYDW-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    COP(=O)(C1C2=CC=CC=C2C(=O)O1)OC
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. 61260-15-9

    2. Dimethyl 3-oxo-1,3-dihydroisobenzofuran-1-ylphosphonate

    3. 3-oxo-1,3-dihydroisobenzofuran-1-ylphosphonic Acid

    4. 3-dimethoxyphosphoryl-3h-2-benzofuran-1-one

    5. Mfcd16883476

    6. 3-dimethoxyphosphoryl-3h-isobenzofuran-1-one

    7. Schembl1689399

    8. Dimethyl(3-oxo-1,3-dihydroisobenzofuran-1-yl)phosphonate

    9. Dtxsid60455870

    10. Amy38601

    11. Cs-m0104

    12. Akos016003673

    13. Ac-29317

    14. As-68381

    15. Sy047475

    16. Dimethyl 3-oxobenzo[c]furan-1-ylphosphonate

    17. Ft-0699562

    18. A857975

    19. Dimethyl 3-oxo-1,3,-dihydroisobenzofuran-1-ylphosphonate

    20. Dimethyl 3-oxo-1,3-dihydro-2-benzofuran-1-ylphosphonate

    21. Dimethyl (3-oxo-1,3-dihydro-2-benzofuran-1-yl)phosphonate

    22. (1,3-dihydro-3-oxoisobenzofuran-1-yl)phosphonic Acid Dimethyl Ester

    23. (3-oxo-1,3-dihydro-isobenzofuran-1-yl) Phosphonic Acid Dimethyl Ester

    24. (3-oxo-1,3-dihydro-isobenzofuran-1-yl)-phosphonic Acid Dimethyl Ester

    25. (3-oxo-1,3-dihydro-isobenzofuran-1-yl)phosphonic Acid Dimethyl Ester

    26. (3-oxo-1,3-dihydroisobenzofuran-1-yl)phosphonic Acid Dimethyl Ester

    2.3 Create Date
    2006-10-26
    3 Chemical and Physical Properties
    Molecular Weight 242.16 g/mol
    Molecular Formula C10H11O5P
    XLogP30.4
    Hydrogen Bond Donor Count0
    Hydrogen Bond Acceptor Count5
    Rotatable Bond Count3
    Exact Mass242.03441044 g/mol
    Monoisotopic Mass242.03441044 g/mol
    Topological Polar Surface Area61.8 Ų
    Heavy Atom Count16
    Formal Charge0
    Complexity321
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count1
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1