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    CAS 2746-19-2

    BUILDING BLOCK

    PharmaCompass
    Xls

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    2D Structure
    Also known as: 2746-19-2, (3ar,4r,7s,7as)-rel-3a,4,7,7a-tetrahydro-4,7-methanoisobenzofuran-1,3-dione, Cis-5-norbornene-exo-2,3-dicarboxylic anhydride, Exo-3,6-methylene-1,2,3,6-tetrahydrophthalic anhydride, N1kqo6559b, 4,7-methanoisobenzofuran-1,3-dione, 3a,4,7,7a-tetrahydro-, (3ar,4r,7s,7as)-rel-
    Molecular Formula
    C9H8O3
    Molecular Weight
    164.16  g/mol
    InChI Key
    KNDQHSIWLOJIGP-RNGGSSJXSA-N
    FDA UNII
    N1KQO6559B
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    (1S,2S,6R,7R)-4-oxatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione
    2.1.2 InChI
    InChI=1S/C9H8O3/c10-8-6-4-1-2-5(3-4)7(6)9(11)12-8/h1-2,4-7H,3H2/t4-,5+,6+,7-
    2.1.3 InChI Key
    KNDQHSIWLOJIGP-RNGGSSJXSA-N
    2.1.4 Canonical SMILES
    C1C2C=CC1C3C2C(=O)OC3=O
    2.1.5 Isomeric SMILES
    C1[C@@H]2C=C[C@H]1[C@H]3[C@@H]2C(=O)OC3=O
    2.2 Other Identifiers
    2.2.1 UNII
    N1KQO6559B
    2.3 Synonyms
    2.3.1 Depositor-Supplied Synonyms

    1. 2746-19-2

    2. (3ar,4r,7s,7as)-rel-3a,4,7,7a-tetrahydro-4,7-methanoisobenzofuran-1,3-dione

    3. Cis-5-norbornene-exo-2,3-dicarboxylic Anhydride

    4. Exo-3,6-methylene-1,2,3,6-tetrahydrophthalic Anhydride

    5. N1kqo6559b

    6. 4,7-methanoisobenzofuran-1,3-dione, 3a,4,7,7a-tetrahydro-, (3ar,4r,7s,7as)-rel-

    7. (1s,2s,6r,7r)-4-oxatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione

    8. (3ar,4r,7s,7as)-3a,4,7,7a-tetrahydro-4,7-methanoisobenzofuran-1,3-dione

    9. Exo-5-norbornene-2,3-dicarboxylic Anhydride

    10. Endicanhydride

    11. Unii-n1kqo6559b

    12. Nsc-110659

    13. Einecs 220-384-5

    14. Norborn-5-ene-2exo,3exo-dicarboxylic Acid Anhydride

    15. Nsc 110659

    16. Exo-nadic Anhydride

    17. Exo-carbic Anhydride

    18. 5-norbornene-2,3-dicarboxylic Anhydride, Cis-exo-

    19. Schembl4940217

    20. Dtxsid70883721

    21. 129-64-6

    22. Amy36726

    23. Bcp04730

    24. Zinc8100956

    25. Akos015999001

    26. Ac-8833

    27. Cs-w008293

    28. Fd14037

    29. 4,7-methanoisobenzofuran-1,3-dione, 3a,4,7,7a-tetrahydro-,(3ar,4r,7s,7as)-rel-

    30. As-18256

    31. Exo-5-norbornene-1,2-dicarboxylic Anhydride

    32. Cis-norbornene-exo-2,3-dicarboxylic Anhydride

    33. H10751

    34. 746n192

    35. A852567

    36. Q-101138

    37. Cis-5-norbornene-exo-2,3-dicarboxylicanhydride

    38. Cis-5-norbornene-exo-2,3-dicarboxylicanhydride,99%

    39. Q27284391

    40. Cis-5-norbornene-endo-2,3-dicarboxylic Anhydride, 95%

    41. Cis-5-norbornene-exo-2,3-dicarboxylic Anhydride, 95%

    42. 5-norbornene-2,3-dicarboxylic Anhydride, Exo-cis-

    43. Exo-3,6-methylene-4-cyclohexene-1,2-dicarboxylic Anhydride

    44. Di-exo-bicyclo[2.2.1]hept-5-ene-2,3-dicarboxylic Anhydride

    45. Norborn-5-ene-2,3-dicarboxylic Anhydride 2-exo, 3-exo Isomere

    46. (1r,2r,6s,7s)-4-oxatricyclo[5.2.1.0?,?]dec-8-ene-3,5-dione

    47. (1r,2r,6s,7s)-4-oxatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione

    48. 3beta,5beta-etheno-1alpha,2alpha-cyclopentanedicarboxylic Anhydride

    49. (1alpha,2alpha,3beta,6beta)-1,2,3,6-tetrahydro-3,6-methanophthalicanhydride

    50. (3ar,4r,7s,7as)-3a,4,7,7a-tetrahydro-4,7-methanoisobenzofurn-1,3-dione

    51. (3ar,7s,7as)-3a,4,7,7a-tetrahydro-4,7-methanoisobenzofuran-1,3-dione

    52. 4,7-methanoisobenzofuran-1,3-dione, 3a,4,7,7a-tetrahydro-, (3ar,4r,7s,7as)-

    53. Rel-(3ar,4r,7s,7as)-3a,4,7,7a-tetrahydro-4,7-methano-2-benzofuran-1,3-dione

    54. 4,7-methanoisobenzofuran-1,3-dione, 3a,4,7,7a-tetrahydro-, (3aalpha,4beta,7beta,7aalpha)-

    55. 4,7-methanoisobenzofuran-1,3-dione, 3a,4,7,7a-tetrahydro-, (3aalpha,4beta,7beta,7aalpha)- (9ci)

    2.4 Create Date
    2006-01-25
    3 Chemical and Physical Properties
    Molecular Weight 164.16 g/mol
    Molecular Formula C9H8O3
    XLogP30.7
    Hydrogen Bond Donor Count0
    Hydrogen Bond Acceptor Count3
    Rotatable Bond Count0
    Exact Mass164.047344113 g/mol
    Monoisotopic Mass164.047344113 g/mol
    Topological Polar Surface Area43.4 Ų
    Heavy Atom Count12
    Formal Charge0
    Complexity277
    Isotope Atom Count0
    Defined Atom Stereocenter Count4
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1