CAS 826-81-3

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Also known as: 2-methylquinolin-8-ol, 826-81-3, 2-methyl-8-quinolinol, 2-methyl-8-hydroxyquinoline, 8-quinolinol, 2-methyl-, 8-hydroxy-2-methylquinoline

Molecular Formula

C₁₀H₉NO

Molecular Weight

159.18 g/mol

InChI Key

NBYLBWHHTUWMER-UHFFFAOYSA-N

FDA UNII

7W631H5302

1 2D Structure

CAS 826-81-3

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

2-methylquinolin-8-ol

2.1.2 InChI

InChI=1S/C10H9NO/c1-7-5-6-8-3-2-4-9(12)10(8)11-7/h2-6,12H,1H3

2.1.3 InChI Key

NBYLBWHHTUWMER-UHFFFAOYSA-N

2.1.4 Canonical SMILES

CC1=NC2=C(C=CC=C2O)C=C1

2.2 Other Identifiers

2.2.1 UNII

7W631H5302

2.3 Synonyms

2.3.1 MeSH Synonyms

1. 2-methyl-8-hydroxyquinoline

2.3.2 Depositor-Supplied Synonyms

1. 2-methylquinolin-8-ol

2. 826-81-3

3. 2-methyl-8-quinolinol

4. 2-methyl-8-hydroxyquinoline

5. 8-quinolinol, 2-methyl-

6. 8-hydroxy-2-methylquinoline

7. 2-methyloxine

8. Hydroxyquinaldine

9. 8-hydroxyqinaldine

10. 2-methyl-quinolin-8-ol

11. Chembl316892

12. Nsc-58553

13. 7w631h5302

14. 2-methyl 8-quinolinol

15. Nsc-403349

16. 8-hydroxyquinaldine (8-hydroxy-2-methylquinoline)

17. Einecs 212-562-6

18. Nsc 58553

19. Brn 0119194

20. 2-methyl-oxine

21. Unii-7w631h5302

22. 8-hydroxy-quinaldine

23. Mfcd00006765

24. Ec 212-562-6

25. 8-hydroxy Quinaldine

26. 5-21-03-00341 (beilstein Handbook Reference)

27. Schembl297247

28. 2-methyl-8-quinolinol, 98%

29. Dtxsid3061184

30. Chebi:180510

31. Hms1647n13

32. Act10324

33. Nsc58553

34. Bdbm50065785

35. Stk037617

36. Zinc12341384

37. Akos000121472

38. Cs-w004053

39. Fs-2928

40. Hydroxy-2-methylquinoline, 8-

41. Sb67453

42. Ncgc00188188-01

43. Ac-12780

44. Am804380

45. Db-056646

46. Ft-0621549

47. M0420

48. P20524

49. W-104165

50. Q27268939

51. F0001-2119

2.4 Create Date

2005-03-26

3 Chemical and Physical Properties

Molecular Formula	C₁₀H₉NO
Molecular Weight	159.18 g/mol
XLogP3	2.3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	0
Exact Mass	159.068413911 g/mol
Monoisotopic Mass	159.068413911 g/mol
Topological Polar Surface Area	33.1 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	160
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