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    CAS 4282-32-0

    BUILDING BLOCK

    PharmaCompass
    Xls

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    2D Structure
    Also known as: 4282-32-0, Dimethyl 2,5-furandicarboxylate, 2,5-furandicarboxylic acid, dimethyl ester, Methyl furan-2,5-dicarboxylate, Mfcd00092317, 2,5-dimethyl furan-2,5-dicarboxylate
    Molecular Formula
    C8H8O5
    Molecular Weight
    184.15  g/mol
    InChI Key
    UWQOPFRNDNVUOA-UHFFFAOYSA-N
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    dimethyl furan-2,5-dicarboxylate
    2.1.2 InChI
    InChI=1S/C8H8O5/c1-11-7(9)5-3-4-6(13-5)8(10)12-2/h3-4H,1-2H3
    2.1.3 InChI Key
    UWQOPFRNDNVUOA-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    COC(=O)C1=CC=C(O1)C(=O)OC
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. 4282-32-0

    2. Dimethyl 2,5-furandicarboxylate

    3. 2,5-furandicarboxylic Acid, Dimethyl Ester

    4. Methyl Furan-2,5-dicarboxylate

    5. Mfcd00092317

    6. 2,5-dimethyl Furan-2,5-dicarboxylate

    7. Dimethylfuran-2,5-dicarboxylate

    8. Schembl69791

    9. Dimethyl Furan 2,5-dicarboxylate

    10. Dtxsid50307531

    11. Zinc399934

    12. Act09718

    13. Albb-012841

    14. Bcp09933

    15. Bbl013889

    16. Nsc191940

    17. Stk410973

    18. Akos003241091

    19. Am83082

    20. Cs-w018613

    21. Nsc 191940

    22. Nsc-191940

    23. Sb60970

    24. 2,5-furandicarboxylic Acid Dimethyl Ester

    25. Ac-22971

    26. Sy045491

    27. Ts-00221

    28. Db-070350

    29. Furan-2,5-dicarboxylic Acid Dimethyl Ester

    30. Bb 0258471

    31. C2652

    32. D5813

    33. Ft-0651610

    34. 282d320

    35. A826013

    36. 6-(1,4-dioxa-8-azaspiro[4.5]dec-8-yl)-3-pyridinylboronicacid

    2.3 Create Date
    2005-03-26
    3 Chemical and Physical Properties
    Molecular Weight 184.15 g/mol
    Molecular Formula C8H8O5
    XLogP31
    Hydrogen Bond Donor Count0
    Hydrogen Bond Acceptor Count5
    Rotatable Bond Count4
    Exact Mass184.03717335 g/mol
    Monoisotopic Mass184.03717335 g/mol
    Topological Polar Surface Area65.7 Ų
    Heavy Atom Count13
    Formal Charge0
    Complexity191
    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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