CAS 4282-32-0

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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

CAS 4282-32-0

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 Formula	C₈H₈O₅
Molecular Weight	184.15 g/mol
XLogP3	1
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	4
Exact Mass	184.03717335 g/mol
Monoisotopic Mass	184.03717335 g/mol
Topological Polar Surface Area	65.7 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	191
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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