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    Chemistry

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    Also known as: 194421-56-2, 3,3-dimethylcyclopropane-1,2-dicarboximide, 3-azabicyclo[3.1.0]hexane-2,4-dione, 6,6-dimethyl-, Schembl8031189, Ampd00084, Dtxsid70444250
    Molecular Formula
    C7H9NO2
    Molecular Weight
    139.15  g/mol
    InChI Key
    DRMNZTFLOOSXIN-UHFFFAOYSA-N
    CAS 194421-56-2
    1 2D Structure

    CAS 194421-56-2

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2,4-dione
    2.1.2 InChI
    InChI=1S/C7H9NO2/c1-7(2)3-4(7)6(10)8-5(3)9/h3-4H,1-2H3,(H,8,9,10)
    2.1.3 InChI Key
    DRMNZTFLOOSXIN-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    CC1(C2C1C(=O)NC2=O)C
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. 194421-56-2

    2. 3,3-dimethylcyclopropane-1,2-dicarboximide

    3. 3-azabicyclo[3.1.0]hexane-2,4-dione, 6,6-dimethyl-

    4. Schembl8031189

    5. Ampd00084

    6. Dtxsid70444250

    7. Cs-m1916

    8. Mfcd12923551

    9. Rb3293

    10. Akos014165617

    11. Am85648

    12. Cs-w000230

    13. Cs-13069

    14. Da-18292

    15. Ft-0696411

    2.3 Create Date
    2006-10-26
    3 Chemical and Physical Properties
    Molecular Weight 139.15 g/mol
    Molecular Formula C7H9NO2
    XLogP30
    Hydrogen Bond Donor Count1
    Hydrogen Bond Acceptor Count2
    Rotatable Bond Count0
    Exact Mass139.063328530 g/mol
    Monoisotopic Mass139.063328530 g/mol
    Topological Polar Surface Area46.2 Ų
    Heavy Atom Count10
    Formal Charge0
    Complexity210
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count2
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1

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