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Overview of CAS 3238-40-2

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4CH-013413
PharmaCompass
  • Chemistry
4CH-013413
Also known as: Furan-2,5-dicarboxylic acid, 3238-40-2, Dehydromucic acid, Furan-2,5-dicarbonsaeure, 2,5-furandicarboxylicacid, 2,5-furandicarboxylate
Molecular Formula
C6H4O5
Molecular Weight
156.093  g/mol
InChI Key
CHTHALBTIRVDBM-UHFFFAOYSA-N

1 2D Structure

4CH-013413

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
furan-2,5-dicarboxylic acid
2.1.2 InChI
InChI=1S/C6H4O5/c7-5(8)3-1-2-4(11-3)6(9)10/h1-2H,(H,7,8)(H,9,10)
2.1.3 InChI Key
CHTHALBTIRVDBM-UHFFFAOYSA-N
2.1.4 Canonical SMILES
C1=C(OC(=C1)C(=O)O)C(=O)O
2.2 Synonyms
2.2.1 Depositor-Supplied Synonyms

1. Furan-2,5-dicarboxylic Acid

2. 3238-40-2

3. Dehydromucic Acid

4. Furan-2,5-dicarbonsaeure

5. 2,5-furandicarboxylicacid

6. 2,5-furandicarboxylate

7. Furane-alpha,alpha'-dicarboxylic Acid

8. Furan 2,5-dicarboxylic Acid

9. Furan-2,5-dicarboxylate

10. Chthalbtirvdbm-uhfffaoysa-n

11. Sbb053079

12. Furane-.alpha.,.alpha.'-dicarboxylic Acid

13. 2,5 Furan Dicarboxylic Acid

14. Dehydromucate

15. Dehydroschleimsaeure

16. 7fn

17. Einecs 221-800-8

18. Nsc 40740

19. Ac1l2rip

20. Ac1q5uhk

21. Furan 2,5-dicarboxylate

22. Furane-a,a'-dicarboxylate

23. Furan-2,5-dicarboxylicacid

24. Acmc-1cp62

25. 2,5-furan Dicarboxylic Acid

26. Schembl38726

27. Ksc223m0n

28. Furane-2,5-dicarboxylic Acid

29. Furane-a,a'-dicarboxylic Acid

30. Dtxsid0062927

31. Chebi:84212

32. Ctk1c3606

33. Molport-001-769-850

34. 2,5-furandicarboxylic Acid, 97%

35. Act08403

36. Albb-012840

37. Ks-000001na

38. Nsc40740

39. Zinc1672226

40. An-008

41. Anw-27340

42. Cf-894

43. Geo-01437

44. Mfcd00016582

45. Nsc-40740

46. Stl508281

47. Akos005169851

48. Cs-w002105

49. Ls20458

50. Mcule-8609542573

51. Ps-8853

52. Rtc-030300

53. Tra0044191

54. Ac-22967

55. Aj-29238

56. Ak-44620

57. At-24241

58. Br-44620

59. Kb-52204

60. Sc-23464

61. Sy016939

62. Ab1010019

63. Db-005878

64. Db-019177

65. St2413098

66. Tc-030300

67. 4ch-013413

68. A5809

69. Am20090470

70. Bg01500049

71. F0710

72. Ft-0082353

73. Ft-0600520

74. St45028095

75. V1447

76. Ec-000.1599

77. A-1793

78. C20450

79. Dehydromucic Acid, Furan-2,5-dicarboxylic Acid

80. 238f402

81. Ar-360/40225989

82. Q-102496

83. S04-0116

2.3 Create Date
2005-03-26
3 Chemical and Physical Properties
Molecular Weight 156.093 g/mol
Molecular Formula C6H4O5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count2
Exact Mass156.006 g/mol
Monoisotopic Mass156.006 g/mol
Topological Polar Surface Area87.7 A^2
Heavy Atom Count11
Formal Charge0
Complexity167
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1
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