CAS 70500-72-0

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3 End Use APIs
14 Related Intermediates

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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

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 Formula	C₉H₇NO₂
Molecular Weight	161.16 g/mol
XLogP3	0.9
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	0
Exact Mass	161.047678466 g/mol
Monoisotopic Mass	161.047678466 g/mol
Topological Polar Surface Area	49.3 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	225
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