CAS 13721-01-2

Chemistry, 2 End Use API, 4 Related Intermediates

Manufacturers/Suppliers

2 Suppliers

2 Suppliers

Also known as: 4-hydroxyquinoline-3-carboxylic acid, 13721-01-2, 34785-11-0, 4-hydroxy-quinoline-3-carboxylic acid, 4-oxo-1h-quinoline-3-carboxylic acid, 1,4-dihydro-4-oxoquinoline-3-carboxylic acid

Molecular Formula

C₁₀H₇NO₃

Molecular Weight

189.17 g/mol

InChI Key

ILNJBIQQAIIMEY-UHFFFAOYSA-N

FDA UNII

BLD4359KYC

1 2D Structure

CAS 13721-01-2

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

4-oxo-1H-quinoline-3-carboxylic acid

2.1.2 InChI

InChI=1S/C10H7NO3/c12-9-6-3-1-2-4-8(6)11-5-7(9)10(13)14/h1-5H,(H,11,12)(H,13,14)

2.1.3 InChI Key

ILNJBIQQAIIMEY-UHFFFAOYSA-N

2.1.4 Canonical SMILES

C1=CC=C2C(=C1)C(=O)C(=CN2)C(=O)O

2.2 Other Identifiers

2.2.1 UNII

BLD4359KYC

2.3 Synonyms

2.3.1 MeSH Synonyms

1. 4-quinolone-3-carboxylic Acid

2.3.2 Depositor-Supplied Synonyms

1. 4-hydroxyquinoline-3-carboxylic Acid

2. 13721-01-2

3. 34785-11-0

4. 4-hydroxy-quinoline-3-carboxylic Acid

5. 4-oxo-1h-quinoline-3-carboxylic Acid

6. 1,4-dihydro-4-oxoquinoline-3-carboxylic Acid

7. 3-quinolinecarboxylic Acid, 1,4-dihydro-4-oxo-

8. 4-quinolone-3-carboxylic Acid

9. 1,4-dihydro-4-oxo-quinoline-3-carboxylic Acid

10. 4-oxo-1,4-dihydroquinoline Carboxylic Acid

11. 4-hydroxy-3-quinolinecarboxylic Acid

12. Mfcd00498984

13. Mfcd00598887

14. Bld4359kyc

15. 1,4-dihydro-4-oxo-3-quinolinecarboxylic Acid

16. 4-oxo-1,4-dihydro-quinoline-3-carboxylic Acid

17. 3-quinolinecarboxylicacid, 4-hydroxy-

18. 4-hydroxyquinoline-3-carboxylicacid

19. Nsc4344

20. Gjp

21. 4-oxohydroquinoline-3-carboxylic Acid

22. 4-oxo-1,4-dihydroquinoline-3-carboxylicacid

23. Unii-bld4359kyc

24. Ec 604-008-0

25. Timtec1_001724

26. Oprea1_220472

27. Oprea1_318687

28. Schembl377150

29. Chembl158890

30. 4-oxoquinoline-3-carboxylic Acid

31. Dtxsid70956267

32. Hms1538o08

33. Hms1616o17

34. Act10557

35. Albb-030902

36. Bcp08207

37. Cs-m2264

38. Nsc-4344

39. 4(1h)-quinolone-3-carboxylic Acid

40. Bbl013879

41. Stk802002

42. Stk899115

43. Akos000268309

44. Akos000273146

45. Ab06514

46. Bs-4028

47. Ccg-126705

48. Sb17737

49. Am803748

50. Sy003660

51. Sy028229

52. 4-hydroxyquinoline-3-carboxylic Acid, 97%

53. Db-081673

54. Db-081675

55. Bb 0221686

56. Bb 0237365

57. D4881

58. Ft-0694718

59. Ft-0722573

60. 4-oxo-1,4-dihydroquinolin-3-carboxylic Acid

61. Ec-000.2269

62. En300-33582

63. 4-oxo-1, 4-dihydroquinoline-3-carboxylic Acid

64. W10229

65. Ab00672488-01

66. A822397

67. Ac-907/34127058

68. Sr-01000425951

69. J-650307

70. Sr-01000425951-1

71. F0777-1767

72. F2124-0013

73. Z234897021

74. 4-oxo-1,4-dihydro-3-quinolinecarboxylic Acid, Aldrichcpr

2.4 Create Date

2005-03-26

3 Chemical and Physical Properties

Molecular Formula	C₁₀H₇NO₃
Molecular Weight	189.17 g/mol
XLogP3	1.8
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	1
Exact Mass	g/mol
Monoisotopic Mass	g/mol
Topological Polar Surface Area	66.4
Heavy Atom Count	14
Formal Charge	0
Complexity	309
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