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CAS 16382-15-3
PharmaCompass
  • Chemistry
CAS 16382-15-3
Also known as: Ethyl 5-methylindole-2-carboxylate, 16382-15-3, 2-carbethoxy-5-methylindole, Kmvfkxfopnkhem-uhfffaoysa-n, Ak-47105, 5-methylindole-2-carboxylic acid ethyl ester
Molecular Formula
C12H13NO2
Molecular Weight
203.241  g/mol
InChI Key
KMVFKXFOPNKHEM-UHFFFAOYSA-N

1 2D Structure

CAS 16382-15-3

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
ethyl 5-methyl-1H-indole-2-carboxylate
2.1.2 InChI
InChI=1S/C12H13NO2/c1-3-15-12(14)11-7-9-6-8(2)4-5-10(9)13-11/h4-7,13H,3H2,1-2H3
2.1.3 InChI Key
KMVFKXFOPNKHEM-UHFFFAOYSA-N
2.1.4 Canonical SMILES
CCOC(=O)C1=CC2=C(N1)C=CC(=C2)C
2.2 Synonyms
2.2.1 Depositor-Supplied Synonyms

1. Ethyl 5-methylindole-2-carboxylate

2. 16382-15-3

3. 2-carbethoxy-5-methylindole

4. Kmvfkxfopnkhem-uhfffaoysa-n

5. Ak-47105

6. 5-methylindole-2-carboxylic Acid Ethyl Ester

7. M-4084

8. 5-methyl-1h-indole-2-carboxylic Acid Ethyl Ester

9. Nsc30928

10. Pubchem7940

11. Acmc-1brcs

12. Ac1l5oy6

13. Ac1q64sf

14. Schembl85706

15. Mls000038492

16. Ac1q34a6

17. Chembl1518533

18. Ctk3j5237

19. Ks-00000gmj

20. Dtxsid50283326

21. Molport-000-147-489

22. 5-methyl-2-(ethoxycarbonyl)indole

23. Bb_sc-0204

24. Hms2345f09

25. Zinc129029

26. Ethyl 5-methyl-2-indolecarboxylate

27. Bb_sc-00204

28. Mix-0012

29. Zx-bk000430

30. Anw-59139

31. Bbl012856

32. Ce-214

33. Mfcd00022703

34. Nsc-30928

35. Sbb066659

36. Stk158196

37. Akos001476257

38. Mcule-8644714304

39. Qc-8211

40. Rp26032

41. Tra0067673

42. Vi30163

43. Ac-26884

44. Aj-12068

45. Bp-12440

46. Cc-09779

47. Fs000835

48. Kb-51413

49. Ns-00008

50. O081

51. Or322120

52. Sc-74077

53. Smr000034076

54. St037816

55. Zb004532

56. Ethyl 5-methylindole-2-carboxylate, 97%

57. Ab0016240

58. Ab1006819

59. Ax8013936

60. Db-043571

61. Rt-002418

62. Bg01514556

63. Eu-0000203

64. Ft-0626132

65. St24047108

66. A-7851

67. 382e153

68. C-09874

69. Sr-01000389771

70. 5-methyl-1h-indole-2-carboxylic Acid, Ethyl Ester

71. I10-0152

72. Sr-01000389771-1

73. 1h-indole-2-carboxylic Acid, 5-methyl-, Ethyl Ester

2.3 Create Date
2005-03-26
3 Chemical and Physical Properties
Molecular Weight 203.241 g/mol
Molecular Formula C12H13NO2
XLogP33.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count3
Exact Mass203.095 g/mol
Monoisotopic Mass203.095 g/mol
Topological Polar Surface Area42.1 A^2
Heavy Atom Count15
Formal Charge0
Complexity242
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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