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2D Structure
Also known as: 4282-32-0, Dimethyl 2,5-furandicarboxylate, 2,5-furandicarboxylic acid, dimethyl ester, Methyl furan-2,5-dicarboxylate, Mfcd00092317, 2,5-dimethyl furan-2,5-dicarboxylate
Molecular Formula
C8H8O5
Molecular Weight
184.15  g/mol
InChI Key
UWQOPFRNDNVUOA-UHFFFAOYSA-N

1 2D Structure

2D Structure

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
dimethyl furan-2,5-dicarboxylate
2.1.2 InChI
InChI=1S/C8H8O5/c1-11-7(9)5-3-4-6(13-5)8(10)12-2/h3-4H,1-2H3
2.1.3 InChI Key
UWQOPFRNDNVUOA-UHFFFAOYSA-N
2.1.4 Canonical SMILES
COC(=O)C1=CC=C(O1)C(=O)OC
2.2 Synonyms
2.2.1 Depositor-Supplied Synonyms

1. 4282-32-0

2. Dimethyl 2,5-furandicarboxylate

3. 2,5-furandicarboxylic Acid, Dimethyl Ester

4. Methyl Furan-2,5-dicarboxylate

5. Mfcd00092317

6. 2,5-dimethyl Furan-2,5-dicarboxylate

7. Dimethylfuran-2,5-dicarboxylate

8. Schembl69791

9. Dimethyl Furan 2,5-dicarboxylate

10. Dtxsid50307531

11. Zinc399934

12. Act09718

13. Albb-012841

14. Bcp09933

15. Bbl013889

16. Nsc191940

17. Stk410973

18. Akos003241091

19. Am83082

20. Cs-w018613

21. Nsc 191940

22. Nsc-191940

23. Sb60970

24. 2,5-furandicarboxylic Acid Dimethyl Ester

25. Ac-22971

26. Sy045491

27. Ts-00221

28. Db-070350

29. Furan-2,5-dicarboxylic Acid Dimethyl Ester

30. Bb 0258471

31. C2652

32. D5813

33. Ft-0651610

34. 282d320

35. A826013

36. 6-(1,4-dioxa-8-azaspiro[4.5]dec-8-yl)-3-pyridinylboronicacid

2.3 Create Date
2005-03-26
3 Chemical and Physical Properties
Molecular Weight 184.15 g/mol
Molecular Formula C8H8O5
XLogP31
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count5
Rotatable Bond Count4
Exact Mass184.03717335 g/mol
Monoisotopic Mass184.03717335 g/mol
Topological Polar Surface Area65.7 Ų
Heavy Atom Count13
Formal Charge0
Complexity191
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1