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2D Structure
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

2D Structure

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 Weight 132.07 g/mol
Molecular Formula C4H4O5
XLogP3-0.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count3
Exact Mass Da
Monoisotopic Mass Da
Topological Polar Surface Area91.7
Heavy Atom Count9
Formal Charge0
Complexity158
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1