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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)-, Mfcd00008738, 1-(3,4,5-trimethoxyphenyl)ethan-1-one
Molecular Formula
C11H14O4
Molecular Weight
210.23  g/mol
InChI Key
VUGQIIQFXCXZJU-UHFFFAOYSA-N
FDA UNII
35KU75558G

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 Other Identifiers
2.2.1 UNII
35KU75558G
2.3 Synonyms
2.3.1 MeSH Synonyms

1. 3',4',5'-tma

2.3.2 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. Mfcd00008738

6. 1-(3,4,5-trimethoxyphenyl)ethan-1-one

7. Nsc-30099

8. 35ku75558g

9. (3,4,5-trimethoxy)acetophenone

10. Einecs 214-501-9

11. Nsc 30099

12. Zinc00057170

13. Bmse010088

14. (3,5-trimethoxy)acetophenone

15. Schembl290542

16. Unii-35ku75558g

17. Bdbm81968

18. Chebi:86547

19. Zinc57170

20. Dtxsid30150481

21. Act07863

22. Nsc30099

23. 3,4,5-trimethoxy-1-acetyl Benzene

24. Bbl034657

25. Stl415950

26. Acetophenone, 3',4',5'-trimethoxy

27. Akos000119391

28. Tma,3,4,5-

29. 1-(3,4,5-trimethoxyphenyl)ethanone #

30. 1-(3,4,5-trimethoxyphenyl)-1-ethanone

31. 3',4',5'-trimethoxyacetophenone, 98%

32. Ac-23726

33. As-48162

34. Sy049790

35. Cas_1136-86-3

36. Db-022819

37. Am20080566

38. Cs-0075988

39. Ft-0614156

40. T0898

41. F19548

42. A803082

43. Sr-01000039809

44. J-003003

45. Sr-01000039809-1

46. Q27159233

47. Z56889007

48. F0850-6776

49. 3 Inverted Exclamation Mark ,4 Inverted Exclamation Mark ,5 Inverted Exclamation Mark -trimethoxyacetophenone

2.4 Create Date
2005-03-26
3 Chemical and Physical Properties
Molecular Weight 210.23 g/mol
Molecular Formula C11H14O4
XLogP31.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count4
Exact Mass210.08920892 g/mol
Monoisotopic Mass210.08920892 g/mol
Topological Polar Surface Area44.8 Ų
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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1136-86-3
MAITHILI is a group of companies based in India (MAM, MLS, MAC, MAT,SGG) and Singapore(MITCO). Maithili ...
MAITHILI is a group of companies based in India (MAM, MLS, MAC, MAT,SGG) and Singapore(MITCO). Maithili Life Sciences (MLS) is a Contract Research Organization headquartered in Hyderabad(lab scale). API operations are supported by a manufacturing unit with cGMP facility designed in accordance with international standards with a built up space of around 4,35,600 sq ft located in Tirupati,AP,India(pilot scale).
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1136-86-3
MAITHILI is a group of companies based in India (MAM, MLS, MAC, MAT,SGG) and Singapore(MITCO). Maithili ...
MAITHILI is a group of companies based in India (MAM, MLS, MAC, MAT,SGG) and Singapore(MITCO). Maithili Life Sciences (MLS) is a Contract Research Organization headquartered in Hyderabad(lab scale). API operations are supported by a manufacturing unit with cGMP facility designed in accordance with international standards with a built up space of around 4,35,600 sq ft located in Tirupati,AP,India(pilot scale).
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