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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

CAS 23945-44-0
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 Weight 156.10 g/mol
Molecular Formula C5H4N2O4
XLogP3-0.7
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count4
Rotatable Bond Count1
Exact Mass g/mol
Monoisotopic Mass g/mol
Topological Polar Surface Area95.5
Heavy Atom Count11
Formal Charge0
Complexity268
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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