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CAS 1613-37-2
PharmaCompass
  • Chemistry
CAS 1613-37-2
Also known as: Quinoline-n-oxide, 1613-37-2, Quinoline n-oxide, Quinoline oxide, Quinoline, 1-oxide, 1-oxidoquinolin-1-ium
Molecular Formula
C9H7NO
Molecular Weight
145.161  g/mol
InChI Key
GIIWGCBLYNDKBO-UHFFFAOYSA-N

1 2D Structure

CAS 1613-37-2

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
1-oxidoquinolin-1-ium
2.1.2 InChI
InChI=1S/C9H7NO/c11-10-7-3-5-8-4-1-2-6-9(8)10/h1-7H
2.1.3 InChI Key
GIIWGCBLYNDKBO-UHFFFAOYSA-N
2.1.4 Canonical SMILES
C1=CC=C2C(=C1)C=CC=[N+]2[O-]
2.2 Synonyms
2.2.1 Depositor-Supplied Synonyms

1. Quinoline-n-oxide

2. 1613-37-2

3. Quinoline N-oxide

4. Quinoline Oxide

5. Quinoline, 1-oxide

6. 1-oxidoquinolin-1-ium

7. Quinoline-1-oxide

8. Quinolin-1-ium-1-olate

9. Quinolinyl-n-oxide

10. Ac-907/25005594

11. Quinoline-n-oxide Hydrate

12. Ccris 4333

13. Einecs 216-560-6

14. Acmc-1bsco

15. Ai3-60109

16. 1-oxido-quinolin-1-ium

17. Qnho01

18. 1-oxidanidylquinolin-1-ium

19. Ac1l25qx

20. Schembl9531

21. Quinoline, 1-oxide, Dihydrate

22. Chembl189783

23. Ctk0i0344

24. Ks-00000wyh

25. Dtxsid00167107

26. Giiwgcblyndkbo-uhfffaoysa-n

27. Molport-001-779-835

28. Zinc157019

29. Anw-63933

30. Dt1241

31. Fch831414

32. Mfcd00006737

33. Sbb058323

34. Akos000279068

35. Gs-6743

36. Vq10423

37. Ak-61164

38. An-49535

39. Cc-34177

40. Or315505

41. Zb006518

42. Ax8011584

43. Db-043486

44. Kb-259651

45. Ls-142087

46. Tc-152678

47. Ft-0633705

48. Q0072

49. St51016219

50. 142248-ep2272972a1

51. 142248-ep2272973a1

52. 142248-ep2277872a1

53. 142248-ep2292593a2

54. 150087-ep2280012a2

55. 150087-ep2289894a2

56. A810250

57. C-02377

2.3 Create Date
2005-03-26
3 Chemical and Physical Properties
Molecular Weight 145.161 g/mol
Molecular Formula C9H7NO
XLogP30.4
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count0
Exact Mass145.053 g/mol
Monoisotopic Mass145.053 g/mol
Topological Polar Surface Area25.5 A^2
Heavy Atom Count11
Formal Charge0
Complexity138
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1
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