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CAS 1136-86-3
PharmaCompass
  • Chemistry
CAS 1136-86-3
Also known as: 1136-86-3, 1-(3,4,5-trimethoxyphenyl)ethanone, 3,4,5-trimethoxyacetophenone, Ethanone, 1-(3,4,5-trimethoxyphenyl)-, 1-(3,4,5-trimethoxyphenyl)ethan-1-one, Vugqiiqfxcxzju-uhfffaoysa-n
Molecular Formula
C11H14O4
Molecular Weight
210.229  g/mol
InChI Key
VUGQIIQFXCXZJU-UHFFFAOYSA-N

1 2D Structure

CAS 1136-86-3

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
1-(3,4,5-trimethoxyphenyl)ethanone
2.1.2 InChI
InChI=1S/C11H14O4/c1-7(12)8-5-9(13-2)11(15-4)10(6-8)14-3/h5-6H,1-4H3
2.1.3 InChI Key
VUGQIIQFXCXZJU-UHFFFAOYSA-N
2.1.4 Canonical SMILES
CC(=O)C1=CC(=C(C(=C1)OC)OC)OC
2.2 Synonyms
2.2.1 Depositor-Supplied Synonyms

1. 1136-86-3

2. 1-(3,4,5-trimethoxyphenyl)ethanone

3. 3,4,5-trimethoxyacetophenone

4. Ethanone, 1-(3,4,5-trimethoxyphenyl)-

5. 1-(3,4,5-trimethoxyphenyl)ethan-1-one

6. Vugqiiqfxcxzju-uhfffaoysa-n

7. Mfcd00008738

8. (3,4,5-trimethoxy)acetophenone

9. Einecs 214-501-9

10. Nsc 30099

11. Zinc00057170

12. Pubchem22820

13. Acmc-1c5os

14. Bmse010088

15. Ac1q47mq

16. (3,5-trimethoxy)acetophenone

17. Schembl290542

18. Ac1l23n7

19. Bdbm81968

20. Chebi:86547

21. Ctk4a8403

22. Zinc57170

23. Dtxsid30150481

24. Molport-000-881-380

25. Bb_sc-6797

26. 1-acetyl-3,4,5-trimethoxybenzene

27. Act07863

28. Nsc30099

29. 2319aa

30. 3,4,5-trimethoxy-1-acetyl Benzene

31. Anw-16653

32. Bbl034657

33. Nsc-30099

34. Stl415950

35. Acetophenone, 3',4',5'-trimethoxy

36. Akos000119391

37. 3/',4/',5/'-trimethoxyacetophenone

38. Mcule-3610198972

39. Ne10604

40. Tma,3,4,5-

41. Vz25240

42. 1-(3,4,5-trimethoxyphenyl)ethanone #

43. Ethanone,1-(3,4,5-trimethoxyphenyl)-

44. 1-(3,4,5-trimethoxyphenyl)-1-ethanone

45. 3',4',5'-trimethoxyacetophenone, 98%

46. Ac-23726

47. Aj-09622

48. Ak115219

49. An-48695

50. Zb002022

51. Cas_1136-86-3

52. Db-022819

53. Kb-178857

54. Tc-105398

55. Tl8007313

56. Am20080566

57. Ft-0614156

58. St24032162

59. St50307933

60. Ethanone, 1-(3,4,5-trimethoxyphenyl)- (9ci)

61. A803082

62. Sr-01000039809

63. J-003003

64. Sr-01000039809-1

65. I01-10146

66. Z56889007

67. F0850-6776

68. Inchi=1/c11h14o4/c1-7(12)8-5-9(13-2)11(15-4)10(6-8)14-3/h5-6h,1-4h

2.3 Create Date
2005-03-26
3 Chemical and Physical Properties
Molecular Weight 210.229 g/mol
Molecular Formula C11H14O4
XLogP31.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count4
Exact Mass210.089 g/mol
Monoisotopic Mass210.089 g/mol
Topological Polar Surface Area44.8 A^2
Heavy Atom Count15
Formal Charge0
Complexity203
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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