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Also known as: 70500-72-0, 2,7-dihydroxyquinoline, 7-hydroxy-1h-quinolin-2-one, 7-hydroxyquinolinone, Quinoline-2,7-diol, 7-hydroxycarbostyril
Molecular Formula
C9H7NO2
Molecular Weight
161.16  g/mol
InChI Key
DBSPUDKBNOZFMX-UHFFFAOYSA-N
FDA UNII
3B25C3NP9L

CAS 70500-72-0
1 2D Structure

CAS 70500-72-0

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
7-hydroxy-1H-quinolin-2-one
2.1.2 InChI
InChI=1S/C9H7NO2/c11-7-3-1-6-2-4-9(12)10-8(6)5-7/h1-5,11H,(H,10,12)
2.1.3 InChI Key
DBSPUDKBNOZFMX-UHFFFAOYSA-N
2.1.4 Canonical SMILES
C1=CC(=CC2=C1C=CC(=O)N2)O
2.2 Other Identifiers
2.2.1 UNII
3B25C3NP9L
2.3 Synonyms
2.3.1 Depositor-Supplied Synonyms

1. 70500-72-0

2. 2,7-dihydroxyquinoline

3. 7-hydroxy-1h-quinolin-2-one

4. 7-hydroxyquinolinone

5. Quinoline-2,7-diol

6. 7-hydroxycarbostyril

7. 7-hydroxy-2(1h)-quinolinone

8. 2(1h)-quinolinone, 7-hydroxy-

9. 7-hydroxyquinoline-(1h)-2-one

10. 7-hydroxy-1,2-dihydroquinolin-2-one

11. 7-hydroxy-2-quinolone

12. 3b25c3np9l

13. Mfcd04117979

14. 7-hydroxy-2-quinolinone

15. 7-hydroxy-quinolone

16. Aripiprazole Impurity 16

17. Unii-3b25c3np9l

18. 7-hydroxy-2(1h)-quinolone

19. Schembl252706

20. Amy489

21. Chebi:48987

22. Dtxsid30450372

23. Act01971

24. Albb-023570

25. Bcp12809

26. Zinc2529224

27. Bbl104225

28. Fd7357

29. S3936

30. Stl558220

31. Akos005259211

32. Akos015919838

33. Ac-1063

34. Ccg-266286

35. Cs-w019815

36. Fs-2844

37. Gs-3122

38. Mb03359

39. Sy047363

40. Db-007209

41. Ft-0601103

42. 500h720

43. A836903

44. J-507539

45. Q27121423

46. 7-hydroxy-1h-quinolin-2-one;7-hydroxyquinolin-2(1h)-one

2.4 Create Date
2006-10-26
3 Chemical and Physical Properties
Molecular Weight 161.16 g/mol
Molecular Formula C9H7NO2
XLogP30.9
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Exact Mass161.047678466 g/mol
Monoisotopic Mass161.047678466 g/mol
Topological Polar Surface Area49.3 Ų
Heavy Atom Count12
Formal Charge0
Complexity225
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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