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ACTIVE PHARMA INGREDIENTS

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Chemistry

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Also known as: Oxalacetic acid, 328-42-7, 2-oxobutanedioic acid, Oxaloacetate, Ketosuccinic acid, Oxosuccinic acid

Molecular Formula

C₄H₄O₅

Molecular Weight

132.07 g/mol

InChI Key

KHPXUQMNIQBQEV-UHFFFAOYSA-N

FDA UNII

2F399MM81J

An anionic form of oxaloacetic acid.

1 2D Structure

Oxaloacetic Acid

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

2-oxobutanedioic acid

2.1.2 InChI

InChI=1S/C4H4O5/c5-2(4(8)9)1-3(6)7/h1H2,(H,6,7)(H,8,9)

2.1.3 InChI Key

KHPXUQMNIQBQEV-UHFFFAOYSA-N

2.2 Other Identifiers

2.2.1 UNII

2F399MM81J

2.3 Synonyms

2.3.1 MeSH Synonyms

1. Oxalacetic Acid

2. 2-ketosuccinic Acid

3. Ketosuccinic Acid

4. 2-oxo-butanedioic Acid

5. Oxaloacetate

2.3.2 Depositor-Supplied Synonyms

1. Oxalacetic Acid

2. 328-42-7

3. 2-oxobutanedioic Acid

4. Oxaloacetate

5. Ketosuccinic Acid

6. Oxosuccinic Acid

7. Butanedioic Acid, Oxo-

8. 2-ketosuccinic Acid

9. Bioepg

10. Keto-oxaloacetate

11. 2-oxo-butanedioic Acid

12. Dtxsid8021646

13. Nsc-77688

14. Chebi:30744

15. 2f399mm81j

16. Dtxcid901646

17. Acid, Oxalacetic

18. Acid, Oxaloacetic

19. 2 Ketosuccinic Acid

20. 2 Oxo Butanedioic Acid

21. Refchem:857040

22. Oxalacetic Acid Trans-(z)-enol

23. 206-329-8

24. 2-oxosuccinic Acid

25. Oxobutanedioic Acid

26. Oxalacetic Acetic

27. Mfcd00002592

28. Butanedioic Acid, 2-oxo-

29. Oxaloethanoic Acid

30. Oaa

31. Nsc 77688

32. Alpha-ketosuccinic Acid

33. Anhydrous Enol-oxaloacetate

34. 2-oxobutanedioate

35. Oxalaceticacid

36. Einecs 206-329-8

37. Ketosuccinate

38. Oxaloethanoate

39. A-ketosuccinate

40. Unii-2f399mm81j

41. 2-ketosuccinate

42. 2-oxosuccinate

43. 4cts

44. Alpha-ketosuccinate

45. A-ketosuccinic Acid

46. Oxalacetic Acid (8ci)

47. Schembl8464

48. Oxalacetic Acid [mi]

49. 3-carboxy-3-oxopropanoic Acid

50. Gtpl5236

51. Orb1302502

52. Butanedioic Acid, Oxo- (9ci)

53. Chembl1794791

54. Bdbm23230

55. Oxalacetic Acid [who-dd]

56. Bcp16299

57. Nsc77688

58. Oxaloacetic Acid, >=97% (hplc)

59. Tox21_201215

60. Lmfa01170120

61. Msk158549

62. S6112

63. Sbb065751

64. Stl168038

65. Akos000121850

66. Cs-w011098

67. Fo12113

68. Hy-w010382

69. Msk158549-100a

70. Msk158549-1000a

71. Ncgc00248960-01

72. Ncgc00258767-01

73. As-17361

74. Cas-328-42-7

75. Sy010263

76. Db-048279

77. Db-228237

78. Ns00015158

79. O0072

80. En300-28603

81. C00036

82. H12016

83. O-5000

84. F358320

85. Oxalacetic Acid Trans-(z)-enol Form [mi]

86. Q408658

87. Oxaloacetic Acid Solution In Acetonitrile, 100ug/ml

88. Brd-k61279411-001-02-0

89. Oxaloacetic Acid Solution In Acetonitrile, 1000ug/ml

90. Z271128590

91. F15d7d2f-5e37-4b87-a8d2-824d5097a4de

92. Oxaloacetic Acid, Hybri-max(tm), Powder, Suitable For Hybridoma

93. Fo12113; Oxobutanedioic Acid; 2-oxosuccinic Acid; Oxaloacetic Acid; Ketosuccinic Acid

94. Oxaloacetic Acid, Powder, Bioreagent, Suitable For Cell Culture, Suitable For Insect Cell Culture, >=97% (hplc)

2.4 Create Date

2004-09-16

3 Chemical and Physical Properties

Molecular Formula	C₄H₄O₅
Molecular Weight	132.07 g/mol
XLogP3	-0.6
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	3
Exact Mass	Da
Monoisotopic Mass	Da
Topological Polar Surface Area	91.7
Heavy Atom Count	9
Formal Charge	0
Complexity	158
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