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    CAS 3779-29-1

    BUILDING BLOCK

    PharmaCompass
    Xls

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    2D Structure
    Also known as: 3779-29-1, Diethyl cyclobutane-1,1-dicarboxylate, 1,1-cyclobutanedicarboxylic acid, diethyl ester, Cyclobutane-1,1-dicarboxylic acid diethyl ester, 1,1-diethyl cyclobutane-1,1-dicarboxylate, S7bah6z7an
    Molecular Formula
    C10H16O4
    Molecular Weight
    200.23  g/mol
    InChI Key
    JPNJEJSZSMXWSV-UHFFFAOYSA-N
    FDA UNII
    S7BAH6Z7AN
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    diethyl cyclobutane-1,1-dicarboxylate
    2.1.2 InChI
    InChI=1S/C10H16O4/c1-3-13-8(11)10(6-5-7-10)9(12)14-4-2/h3-7H2,1-2H3
    2.1.3 InChI Key
    JPNJEJSZSMXWSV-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    CCOC(=O)C1(CCC1)C(=O)OCC
    2.2 Other Identifiers
    2.2.1 UNII
    S7BAH6Z7AN
    2.3 Synonyms
    2.3.1 Depositor-Supplied Synonyms

    1. 3779-29-1

    2. Diethyl Cyclobutane-1,1-dicarboxylate

    3. 1,1-cyclobutanedicarboxylic Acid, Diethyl Ester

    4. Cyclobutane-1,1-dicarboxylic Acid Diethyl Ester

    5. 1,1-diethyl Cyclobutane-1,1-dicarboxylate

    6. S7bah6z7an

    7. 1,1-cyclobutanedicarboxylic Acid Diethyl Ester

    8. Nsc-9017

    9. 1,1-cyclobutanedicarboxylic Acid, 1,1-diethyl Ester

    10. Mfcd00019261

    11. 1,1-dicarboethoxycyclobutane

    12. Nsc 9017

    13. Einecs 223-239-4

    14. Diethyl-1,1-cyclobutanedicarboxylate

    15. Ai3-05631

    16. Unii-s7bah6z7an

    17. Schembl713102

    18. Diethyl Cyclobutanedicarboxylate

    19. Dtxsid2063189

    20. Zinc57573

    21. Nsc9017

    22. Hms1577c01

    23. Act03328

    24. Bbl100175

    25. Stk328110

    26. Akos000120487

    27. Ab89710

    28. Gs-3371

    29. 2,2-diethylcyclobutane-1,1-dicarboxylate

    30. Ac-19426

    31. Sy036809

    32. Db-016139

    33. Diethyl 1,1-cyclobutanedicarboxylate, 95%

    34. Am20070611

    35. Cs-0017981

    36. Ft-0606077

    37. En300-20256

    38. A823876

    39. J-802188

    40. W-106512

    41. Q63409128

    42. Diethyl Cyclobutane-1,1-dicarboxylate, >=98.0% (gc)

    43. F0001-1084

    44. 1,1-dicarboethoxycyclobutane/diethyl 1,1-cyclobutanedicarboxylate

    2.4 Create Date
    2005-03-26
    3 Chemical and Physical Properties
    Molecular Weight 200.23 g/mol
    Molecular Formula C10H16O4
    XLogP31.8
    Hydrogen Bond Donor Count0
    Hydrogen Bond Acceptor Count4
    Rotatable Bond Count6
    Exact Mass200.10485899 g/mol
    Monoisotopic Mass200.10485899 g/mol
    Topological Polar Surface Area52.6 Ų
    Heavy Atom Count14
    Formal Charge0
    Complexity210
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1