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Overview of CAS 2199-51-1

Client Email Product
4CH-014909
PharmaCompass
4CH-014909
Also known as: 2199-51-1, 2,4-dimethyl-1h-pyrrole-3-carboxylic acid ethyl ester, Ethyl 2,4-dimethylpyrrole-3-carboxylate, 1h-pyrrole-3-carboxylic acid, 2,4-dimethyl-, ethyl ester, 2,4-dimethylpyrrole-3-carboxylic acid ethyl ester, Ethyl 2,4-dimethyl-pyrrole-3-carboxylate
Molecular Formula
C9H13NO2
Molecular Weight
167.208  g/mol
InChI Key
QWSFDUPEOPMXCV-UHFFFAOYSA-N

1 2D Structure

4CH-014909

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
ethyl 2,4-dimethyl-1H-pyrrole-3-carboxylate
2.1.2 InChI
InChI=1S/C9H13NO2/c1-4-12-9(11)8-6(2)5-10-7(8)3/h5,10H,4H2,1-3H3
2.1.3 InChI Key
QWSFDUPEOPMXCV-UHFFFAOYSA-N
2.1.4 Canonical SMILES
CCOC(=O)C1=C(NC=C1C)C
2.2 Synonyms
2.2.1 Depositor-Supplied Synonyms

1. 2199-51-1

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

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

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

5. 2,4-dimethylpyrrole-3-carboxylic Acid Ethyl Ester

6. Ethyl 2,4-dimethyl-pyrrole-3-carboxylate

7. Ethyl 2,4-dimethylpyrrole-3-carboxylic Acid

8. 2,4-dimethyl-1h-pyrrole-3-carboxylicacidethylester

9. 2,4-dimethyl-1h-pyrrole-3-carboxylic Acid Ethylester

10. F9995-0105

11. Nsc13425

12. Pubchem11096

13. Ac1l3aoo

14. Ac1q32sf

15. Ksc496g8n

16. Mls000516371

17. Schembl1316433

18. Jsp004469

19. Chembl1999809

20. Ctk3j6386

21. Dtxsid80176414

22. 2,4-dimethyl-3-carbethoxypyrrole

23. Molport-001-770-709

24. Qwsfdupeopmxcv-uhfffaoysa-n

25. Hms2653h13

26. 2,4-dimethyl-3-carbethoxy-pyrrole

27. Act01687

28. Ks-000000sp

29. Zinc1729613

30. Anw-50530

31. Cd-778

32. Mfcd01365811

33. Nsc-13425

34. Sbb066749

35. Akos001063868

36. Ac-1930

37. Cs-w005791

38. Fs-2249

39. Mcule-3956771685

40. Pb24722

41. Qc-1094

42. Rp23018

43. Rtc-069681

44. Vp60064

45. Wt81731

46. Ncgc00246080-01

47. Aj-31187

48. Ak-23887

49. An-14467

50. Bc225421

51. Br-23887

52. Cj-06930

53. He035971

54. He214936

55. Kb-50837

56. M387

57. Sc-19584

58. Smr000342505

59. Ab0015186

60. Db-011937

61. St2419291

62. Tc-069681

63. 4ch-014909

64. A4721

65. Am20090210

66. E1075

67. Ft-0083371

68. Ft-0649097

69. En300-17441

70. Ethyl 2,4-dimethylpyrrole-3-carboxylate 98%

71. S-2617

72. 2,4-dimethyl-1h-pyrrole-3-carboxylic Acid Ethyl

73. 199d511

74. 2,4-dimethyl-1h-pyrrole-3-carboxylic Acid Ethyl Es

75. 2,4-dimethyl-3-(ethoxycarbonyl)-1h-pyrrole

76. I11-0027

77. W-201903

78. Z56933875

79. Pyrrole-3-carboxylic Acid, 2,4-dimethyl-, Ethyl Ester

80. Inchi=1/c9h13no2/c1-4-12-9(11)8-6(2)5-10-7(8)3/h5,10h,4h2,1-3h

2.3 Create Date
2005-03-26
3 Chemical and Physical Properties
Molecular Weight 167.208 g/mol
Molecular Formula C9H13NO2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count3
Exact Mass167.095 g/mol
Monoisotopic Mass167.095 g/mol
Topological Polar Surface Area42.1 A^2
Heavy Atom Count12
Formal Charge0
Complexity170
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1
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