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    CAS 67911-21-1
    Also known as: 67911-21-1, Caronic anhydride, 3-oxabicyclo[3.1.0]hexane-2,4-dione, 6,6-dimethyl-, 3,3-dimethyl-1,2-cyclopropanedicarboxylic anhydride, 6,6-dimethyl-3-oxabicyclo[3.1.0]hexane-2,4-dione; caronic anhydride, (1r,5s)-6,6-dimethyl-3-oxabicyclo(3.1.0)hexane-2,4-dione
    Molecular Formula
    C7H8O3
    Molecular Weight
    140.14  g/mol
    InChI Key
    QKAHKEDLPBJLFD-UHFFFAOYSA-N
    1 2D Structure

    CAS 67911-21-1

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    6,6-dimethyl-3-oxabicyclo[3.1.0]hexane-2,4-dione
    2.1.2 InChI
    InChI=1S/C7H8O3/c1-7(2)3-4(7)6(9)10-5(3)8/h3-4H,1-2H3
    2.1.3 InChI Key
    QKAHKEDLPBJLFD-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    CC1(C2C1C(=O)OC2=O)C
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. 67911-21-1

    2. Caronic Anhydride

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

    4. 3,3-dimethyl-1,2-cyclopropanedicarboxylic Anhydride

    5. 6,6-dimethyl-3-oxabicyclo[3.1.0]hexane-2,4-dione; Caronic Anhydride

    6. (1r,5s)-6,6-dimethyl-3-oxabicyclo(3.1.0)hexane-2,4-dione

    7. Ec 614-164-1

    8. Schembl3381973

    9. Dtxsid40438803

    10. Act08466

    11. Albb-007822

    12. Bbl013304

    13. Mfcd09032992

    14. Mfcd09751198

    15. Stk504828

    16. Akos005171679

    17. Am61643

    18. Ds-17876

    19. Sy014553

    20. Db-011637

    21. Bb 0260142

    22. Cs-0015906

    23. Ft-0658766

    24. En300-82369

    25. A835932

    26. 6,6-dimethyl-3-oxabicyclo[3.1.0]hex-2,4-dione

    27. 3,3-dimethyl-1,2-cyclopropane Dicarboxylic Anhydride

    28. 3,3-dimethyl-1,2-cyclopropanedicarboxylic Acid Anhydride

    29. (2r,4r)-methyl 4-hydroxypyrrolidine-2-carboxylate(hydrochloride Form)

    2.3 Create Date
    2006-10-25
    3 Chemical and Physical Properties
    Molecular Weight 140.14 g/mol
    Molecular Formula C7H8O3
    XLogP30.6
    Hydrogen Bond Donor Count0
    Hydrogen Bond Acceptor Count3
    Rotatable Bond Count0
    Exact Mass140.047344113 g/mol
    Monoisotopic Mass140.047344113 g/mol
    Topological Polar Surface Area43.4 Ų
    Heavy Atom Count10
    Formal Charge0
    Complexity207
    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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