CAS 3238-40-2

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Also known as: Furan-2,5-dicarboxylic acid, 3238-40-2, Dehydromucic acid, Furan-2,5-dicarboxylicacid, 2,5-furandicarboxylicacid, 2,5-furandicarboxylate

Molecular Formula

C₆H₄O₅

Molecular Weight

156.09 g/mol

InChI Key

CHTHALBTIRVDBM-UHFFFAOYSA-N

FDA UNII

73C4JJ695C

2,5-furandicarboxylic acid is a natural product found in Phomopsis velata with data available.

1 2D Structure

CAS 3238-40-2

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 Other Identifiers

2.2.1 UNII

73C4JJ695C

2.3 Synonyms

2.3.1 MeSH Synonyms

1. Fdca Cpd

2.3.2 Depositor-Supplied Synonyms

1. Furan-2,5-dicarboxylic Acid

2. 3238-40-2

3. Dehydromucic Acid

4. Furan-2,5-dicarboxylicacid

5. 2,5-furandicarboxylicacid

6. 2,5-furandicarboxylate

7. Mfcd00016582

8. 2,5-dicarboxyfuran

9. Furane-alpha,alpha'-dicarboxylic Acid

10. 2,5 Furan Dicarboxylic Acid

11. Furan 2,5-dicarboxylic Acid

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

13. 73c4jj695c

14. Nsc-40740

15. Furan-2,5-dicarbonsaeure

16. Dehydroschleimsaeure

17. Dehydromucate

18. 7fn

19. Einecs 221-800-8

20. Nsc 40740

21. Fdca

22. Furan 2,5-dicarboxylate

23. Furane-a,a'-dicarboxylate

24. Ec-000.1599

25. Ec 221-800-8

26. 2,5-furan Dicarboxylic Acid

27. Schembl38726

28. Furane-2,5-dicarboxylic Acid

29. Furane-a,a'-dicarboxylic Acid

30. Unii-73c4jj695c

31. Dtxsid0062927

32. Chebi:84212

33. 2,5-furandicarboxylic Acid, 97%

34. Act08403

35. Albb-012840

36. Bcp16192

37. Nsc40740

38. Zinc1672226

39. Bbl037231

40. Geo-01437

41. S6320

42. Stl508281

43. Akos005169851

44. Cs-w002105

45. Hy-w002105

46. Ps-8853

47. Ac-22967

48. Sy016939

49. Db-005878

50. Db-019177

51. A5809

52. Am20090470

53. F0710

54. Ft-0600520

55. C20450

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

57. 238f402

58. Ar-360/40225989

59. Q-102496

60. Q4596798

61. 1-boc-3-([(4-trifluoromethyl-phenyl)-amino]-methyl)-azetidine

2.4 Create Date

2005-03-26

3 Chemical and Physical Properties

Molecular Formula	C₆H₄O₅
Molecular Weight	156.09 g/mol
XLogP3	0.7
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	2
Exact Mass	156.00587322 g/mol
Monoisotopic Mass	156.00587322 g/mol
Topological Polar Surface Area	87.7 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	167
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

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