CAS 2746-19-2

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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

CAS 2746-19-2

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 Formula	C₉H₈O₃
Molecular Weight	164.16 g/mol
XLogP3	0.7
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	0
Exact Mass	164.047344113 g/mol
Monoisotopic Mass	164.047344113 g/mol
Topological Polar Surface Area	43.4 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	277
Isotope Atom Count	0
Defined Atom Stereocenter Count	4
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1