2199-59-9

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CHEMISTRY

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1 Suppliers, 1 End Use APIs, 17 Related Intermediates

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1 End Use APIs
17 Related Intermediates

Chemistry

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Also known as: 2199-59-9, 5-formyl-2,4-dimethyl-1h-pyrrole-3-carboxylic acid ethyl ester, 2,4-dimethyl-3-ethoxycarbonyl-5-formylpyrrole, Ethyl 5-formyl-2,4-dimethylpyrrole-3-carboxylate, 1h-pyrrole-3-carboxylic acid, 5-formyl-2,4-dimethyl-, ethyl ester, Mfcd00030352

Molecular Formula

C₁₀H₁₃NO₃

Molecular Weight

195.21 g/mol

InChI Key

GDISALBEIGGPER-UHFFFAOYSA-N

1 2D Structure

2199-59-9

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

ethyl 5-formyl-2,4-dimethyl-1H-pyrrole-3-carboxylate

2.1.2 InChI

InChI=1S/C10H13NO3/c1-4-14-10(13)9-6(2)8(5-12)11-7(9)3/h5,11H,4H2,1-3H3

2.1.3 InChI Key

GDISALBEIGGPER-UHFFFAOYSA-N

2.1.4 Canonical SMILES

CCOC(=O)C1=C(NC(=C1C)C=O)C

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 2199-59-9

2. 5-formyl-2,4-dimethyl-1h-pyrrole-3-carboxylic Acid Ethyl Ester

3. 2,4-dimethyl-3-ethoxycarbonyl-5-formylpyrrole

4. Ethyl 5-formyl-2,4-dimethylpyrrole-3-carboxylate

5. 1h-pyrrole-3-carboxylic Acid, 5-formyl-2,4-dimethyl-, Ethyl Ester

6. Mfcd00030352

7. 5-formyl-2,4-dimethyl-3-pyrrolecarboxylic Acid Ethyl Ester

8. Ethyl 2,4-dimethyl-5-formylpyrrole-3-carboxylate

9. Nsc13426

10. Ethyl 3,5-dimethyl-2-formylpyrrole-4-carboxylate

11. Ethyl5-formyl-2,4-dimethyl-1h-pyrrole-3-carboxylate

12. Schembl1627475

13. Dtxsid60176417

14. 5-formyl-2,4-dimethyl-1h-pyrrole-3-carboxylicacidethylester

15. Act01683

16. Bcp04682

17. Zinc1729614

18. Bbl101193

19. Nsc 13426

20. Nsc-13426

21. Stl554989

22. Akos001132948

23. Ab01501

24. Ac-4254

25. Cs-w002153

26. Ps-6285

27. Wt81730

28. Ncgc00335024-01

29. Sy020518

30. Db-012270

31. Am20090212

32. E1051

33. Ft-0634119

34. En300-13240

35. A13183

36. Ab01327007-02

37. 199f599

38. Ethyl 5-formyl-2,4-dimethyl-3-pyrrolecarboxylate

39. 2,4-dimethyl-3-carbethoxy Pyrrole-5-carboxaldehyde

40. J-521137

41. 4-ethoxycarbonyl-3,5-dimethylpyrrole-2-carboxaldehyde

42. 5-formyl-2,4-dimethyl-pyrrole-3-carboxylic Acid Ethyl Ester

43. 2,4-dimethyl-5-formyl-1h-pyrrole-3-carboxylic Acid Ethyl Ester

2.3 Create Date

2005-03-26

3 Chemical and Physical Properties

Molecular Formula	C₁₀H₁₃NO₃
Molecular Weight	195.21 g/mol
XLogP3	1.5
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	4
Exact Mass	195.08954328 g/mol
Monoisotopic Mass	195.08954328 g/mol
Topological Polar Surface Area	59.2 Å²
Heavy Atom Count	14
Formal Charge	0
Complexity	229
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