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CAS 14805-29-9
PharmaCompass
CAS 14805-29-9
Also known as: 14805-29-9, (3ar,4s,7r,7as)-hexahydro-1h-4,7-methanoisoindole-1,3(2h)-dione, Exo-hexahydro-1h-4,7-methanoisoindole-1,3(2h)-dione, (3ar,4s,7r,7as) 4,7-methano-1h-isoindole-1,3(2h)-dione, Ak-57108, (3ar,4s,7r,7as)4,7-methano-1h-isoindole-1,3(2h)-dione
Molecular Formula
C9H11NO2
Molecular Weight
165.192  g/mol
InChI Key
RIVOBMOBWMOLDJ-RNGGSSJXSA-N

1 2D Structure

CAS 14805-29-9

2 Identification
2.1 Computed Descriptors
2.1.1 InChI
InChI=1S/C9H11NO2/c11-8-6-4-1-2-5(3-4)7(6)9(12)10-8/h4-7H,1-3H2,(H,10,11,12)/t4-,5+,6+,7-
2.1.2 InChI Key
RIVOBMOBWMOLDJ-RNGGSSJXSA-N
2.1.3 Canonical SMILES
C1CC2CC1C3C2C(=O)NC3=O
2.1.4 Isomeric SMILES
C1C[C@H]2C[C@@H]1[C@H]3[C@@H]2C(=O)NC3=O
2.2 Synonyms
2.2.1 Depositor-Supplied Synonyms

1. 14805-29-9

2. (3ar,4s,7r,7as)-hexahydro-1h-4,7-methanoisoindole-1,3(2h)-dione

3. Exo-hexahydro-1h-4,7-methanoisoindole-1,3(2h)-dione

4. (3ar,4s,7r,7as) 4,7-methano-1h-isoindole-1,3(2h)-dione

5. Ak-57108

6. (3ar,4s,7r,7as)4,7-methano-1h-isoindole-1,3(2h)-dione

7. (3ar,4s,7r,7as)-rel-hexahydro-4,7-methano-1h-isoindole-1,3(2h)-dione

8. A1-00277

9. Endo-2,3-norbornanedicarboximide

10. (1r,2s,6r,7s)-4-azatricyclo[5.2.1.0(2),?]decane-3,5-dione

11. Schembl2545200

12. Ctk8b6722

13. Dtxsid10444279

14. Molport-023-279-181

15. Zinc1762541

16. Anw-54148

17. Mfcd12964181

18. Akos015999575

19. Acn-026817

20. Cs-w003844

21. Exo-2,3-norbornanedicarboximide

22. Fch3884178

23. Ks-0000101a

24. Aj-31603

25. Cj-07064

26. Ds-15434

27. Kb-17064

28. Sy023926

29. 2,3-norbornanedicarboximide, Exo-

30. Ab0032753

31. Ax8161465

32. Bg01501770

33. St24026227

34. X6157

35. Bicyclo[2,2,1]heptane-2,3-di-exo-carboximide

36. M-9647

37. J-501167

38. (3ar,4s,7r,7as)-hexahydro-4,7-methano-2h-isoindole-1,3-dione

39. (3ar,4s,7r,7as)- Hexahydro-4,7-m Ethano-2h-isoind Ole-1,3-dione

40. (3as,4r,7s,7ar)-hexahydro-4,7-methano-1h-isoindole-1,3-(2h)-dione

41. 4,7-methano-1h-isoindole-1,3(2h)-dione, Hexahydro-, (3ar,4s,7r,7as)-rel-

42. 1318027-24-5

2.3 Create Date
2006-10-26
3 Chemical and Physical Properties
Molecular Weight 165.192 g/mol
Molecular Formula C9H11NO2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Exact Mass165.079 g/mol
Monoisotopic Mass165.079 g/mol
Topological Polar Surface Area46.2 A^2
Heavy Atom Count12
Formal Charge0
Complexity248
Isotope Atom Count0
Defined Atom Stereocenter Count4
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1
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