CAS 15128-52-6

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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

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 Formula	C₁₂H₁₁NO
Molecular Weight	185.22 g/mol
XLogP3	2.2
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	0
Exact Mass	185.084063974 g/mol
Monoisotopic Mass	185.084063974 g/mol
Topological Polar Surface Area	32.9 Å²
Heavy Atom Count	14
Formal Charge	0
Complexity	251
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1