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Also known as: 15128-52-6, 1,2,3,4-tetrahydro-4-oxo-carbazole, 1,2,3,4-tetrahydro-4-oxocarbazole, 1,2,3,9-tetrahydro-4h-carbazol-4-one, 1,2,3,9-tetrahydrocarbazol-4-one, 1,2,3,4-tetrahydrocarbazol-4-one
Molecular Formula
C12H11NO
Molecular Weight
185.22  g/mol
InChI Key
DSXKDTZEIWTHRO-UHFFFAOYSA-N

CAS 15128-52-6
1 2D Structure

CAS 15128-52-6

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
1,2,3,9-tetrahydrocarbazol-4-one
2.1.2 InChI
InChI=1S/C12H11NO/c14-11-7-3-6-10-12(11)8-4-1-2-5-9(8)13-10/h1-2,4-5,13H,3,6-7H2
2.1.3 InChI Key
DSXKDTZEIWTHRO-UHFFFAOYSA-N
2.1.4 Canonical SMILES
C1CC2=C(C(=O)C1)C3=CC=CC=C3N2
2.2 Synonyms
2.2.1 MeSH Synonyms

1. 1,2,3,9-tetrahydro-4h-carbazol-4-one

2.2.2 Depositor-Supplied Synonyms

1. 15128-52-6

2. 1,2,3,4-tetrahydro-4-oxo-carbazole

3. 1,2,3,4-tetrahydro-4-oxocarbazole

4. 1,2,3,9-tetrahydro-4h-carbazol-4-one

5. 1,2,3,9-tetrahydrocarbazol-4-one

6. 1,2,3,4-tetrahydrocarbazol-4-one

7. 1,2,3,9-tetrahydro-4(h)-carbazol-4-one

8. 1,2,3,9-tetrahydro-4h-carbazole-4-one

9. 2,3,4,9-tetrahydro-1h-carbazol-4-one

10. 4h-carbazol-4-one, 1,2,3,9-tetrahydro-

11. Mfcd00173749

12. 1,2,3,9-tetrahydro-carbazol-4-one

13. Ethylp-toluate

14. Ondansetron Impurity I

15. Schembl2220752

16. 1,2-dihydrocarbazol-4(3h)-one

17. 2,3-dihydro-1h-carbazole-4-ol

18. Dtxsid801290622

19. Zinc519622

20. Bcp15343

21. 1,2,3,9-tetrahydrocarbazole-4-one

22. Stk062659

23. 2,3-dihydro-1h-carbazol-4(9h)-on

24. Akos005135868

25. 1,2,3,9-tetrahydro-carbazole-4-one

26. 1,2-dihydro-9h-carbazol-4(3h)-one

27. Ac-6233

28. Cs-w016949

29. Gf-0126

30. Sy021332

31. 1,2,3,4-tetrahydro-9h-carbazole-4-one

32. Db-018713

33. Db-045330

34. Ft-0602409

35. Ft-0602568

36. T2559

37. 128t526

38. 4h-carbazol-4-one,1,2,3,4a,9,9a-hexahydro-

39. A809153

40. J-008799

41. J-013503

42. Z1741975719

2.3 Create Date
2005-07-09
3 Chemical and Physical Properties
Molecular Weight 185.22 g/mol
Molecular Formula C12H11NO
XLogP32.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count0
Exact Mass185.084063974 g/mol
Monoisotopic Mass185.084063974 g/mol
Topological Polar Surface Area32.9 Ų
Heavy Atom Count14
Formal Charge0
Complexity251
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1

BUILDING BLOCK

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