CAS 23945-44-0

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Also known as: 23945-44-0, Uracil 5-carboxylic acid, Isoorotic acid, Uracil-5-carboxylic acid, 59299-01-3, 5-carboxyuracil

Molecular Formula

C₅H₄N₂O₄

Molecular Weight

156.10 g/mol

InChI Key

ZXYAAVBXHKCJJB-UHFFFAOYSA-N

FDA UNII

G7JYK59EBR

2,4-Dihydroxypyrimidine-5-carboxylic acid is a natural product found in Stevia rebaudiana with data available.

1 2D Structure

CAS 23945-44-0

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

2,4-dioxo-1H-pyrimidine-5-carboxylic acid

2.1.2 InChI

InChI=1S/C5H4N2O4/c8-3-2(4(9)10)1-6-5(11)7-3/h1H,(H,9,10)(H2,6,7,8,11)

2.1.3 InChI Key

ZXYAAVBXHKCJJB-UHFFFAOYSA-N

2.1.4 Canonical SMILES

C1=C(C(=O)NC(=O)N1)C(=O)O

2.2 Other Identifiers

2.2.1 UNII

G7JYK59EBR

2.3 Synonyms

2.3.1 MeSH Synonyms

1. Uracil-5-carboxylic Acid

2.3.2 Depositor-Supplied Synonyms

1. 23945-44-0

2. Uracil 5-carboxylic Acid

3. Isoorotic Acid

4. Uracil-5-carboxylic Acid

5. 59299-01-3

6. 5-carboxyuracil

7. 2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-carboxylic Acid

8. 5-uracilcarboxylic Acid

9. 2,4-dihydroxy-5-pyrimidinecarboxylic Acid

10. 5-pyrimidinecarboxylic Acid, 1,2,3,4-tetrahydro-2,4-dioxo-

11. 2,4-dioxo-1h-pyrimidine-5-carboxylic Acid

12. Uracil 5-carboxylate

13. Mfcd00075737

14. G7jyk59ebr

15. 2,4-dihydroxypyrimidine-5-carboxylic Acid, Hydrate

16. 5-pyrimidinecarboxylic Acid, 2,4-dihydroxy-

17. Chebi:17477

18. Nsc-1589

19. Uracil-5-carboxylic Acid Momohydrate

20. 76821-79-9

21. Iso-orotic Acid

22. 5-pyrimidinecarboxylic Acid, 1,2,3,4-tetrahydro-2,4-dioxo-, Radical Ion(1+) (9ci)

23. Nsc-79561

24. Mfcd00006023

25. 2,4-dihydroxy-pyrimidine-5-carboxylic Acid

26. 5-carboxy-2,4-dihydroxypyrimidine

27. 5cu

28. Nsc 1589

29. Einecs 245-947-2

30. Ai3-22925

31. Unii-g7jyk59ebr

32. 80106-50-9

33. Schembl127493

34. Chembl1213478

35. Dtxsid1066942

36. 2,4-bis(hydroxymethyl)mesitylene

37. Nsc1589

38. Chebi:192377

39. Bcp26875

40. Cs-d0802

41. Fmoc-beta-(r)-4-fluorophenylalanine

42. S3127

43. Uracil-5-carboxylic Acid (enol Form)

44. Akos000265273

45. Akos001717388

46. Ac-5978

47. Bs-3858

48. Gs-3379

49. Sb11836

50. Sb57502

51. 5-pyrimidinecarboxylic Acid,4-dihydroxy-

52. Hy-66047

53. Sy008882

54. 2,4-dihydroxy-5-pyrimidne Carboxylic Acid

55. 2,4-dihydroxy-pyrimidin-5-carboxylic Acid

56. Am20090262

57. Ft-0620788

58. Ft-0660533

59. En300-20308

60. A15402

61. C03030

62. 2,4-dihydroxypyrimidine-5-carboxylic Acid, 95%

63. A848163

64. J-525151

65. J-640163

66. J-800166

67. W-107367

68. Q27102419

69. F2113-0110

70. Z104477702

71. 1,2,3,4-tetrahydro-2,4-dioxo-5-pyrimidinecarboxylic Acid

72. 2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-carboxylicacid

73. 5-pyrimidinecarboxylic Acid,2,3,4-tetrahydro-2,4-dioxo-

74. 2,4-dioxo-1,2,3,4-tetrahydro-pyrimidine-5-carboxylic Acid

75. 5-pyrimidinecarboxylic Acid, 1,2,3,4-tetrahydro-2,4-dioxo-, Hydrate

76. 394-40-1

77. Inchi=1/c5h4n2o4/c8-3-2(4(9)10)1-6-5(11)7-3/h1h,(h,9,10)(h2,6,7,8,11

2.4 Create Date

2004-09-16

3 Chemical and Physical Properties

Molecular Formula	C₅H₄N₂O₄
Molecular Weight	156.10 g/mol
XLogP3	-0.7
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	1
Exact Mass	g/mol
Monoisotopic Mass	g/mol
Topological Polar Surface Area	95.5
Heavy Atom Count	11
Formal Charge	0
Complexity	268
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