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2199-59-9
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 Weight 195.21 g/mol
Molecular Formula C10H13NO3
XLogP31.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count4
Exact Mass195.08954328 g/mol
Monoisotopic Mass195.08954328 g/mol
Topological Polar Surface Area59.2 Ų
Heavy Atom Count14
Formal Charge0
Complexity229
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1
Flag China
Digital Content Digital Content
URL Supplier Web Content
2199-59-9
Sunitinib
Syntame is a Pharm- Heatlh technology company jointly sponsored by two PhD from Hong Kong Polytechnic Uni...
Syntame is a Pharm- Heatlh technology company jointly sponsored by two PhD from Hong Kong Polytechnic University & Zhejiang University. We always focus on the market & customer needs, committee to researching, developing & marketing innovative products & services of pharmaceutical & health. Our Pharmaceutical Division: Committed to the R&D, promotion, distribution of APIs & intermediates, to provide various innovative products & technical solutions for China & global pharmaceutical markets. Our Health Division: Continuously tapping the natural active ingredients, combining traditional Chinese medicine theory, to develop functional foods.
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