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2D Structure
Also known as: 1916-07-0, Trimethylgallic acid methyl ester, Methyl tri-o-methylgallate, Benzoic acid, 3,4,5-trimethoxy-, methyl ester, 3,4,5-trimethoxybenzoic acid methyl ester, Methyl eudesmate
Molecular Formula
C11H14O5
Molecular Weight
226.23  g/mol
InChI Key
KACHFMOHOPLTNX-UHFFFAOYSA-N
FDA UNII
QFP1LSC7TK

methyl 3,4,5-trimethoxybenzoate is a natural product found in Buxus natalensis, Eucalyptus aggregata, and other organisms with data available.
1 2D Structure

2D Structure

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
methyl 3,4,5-trimethoxybenzoate
2.1.2 InChI
InChI=1S/C11H14O5/c1-13-8-5-7(11(12)16-4)6-9(14-2)10(8)15-3/h5-6H,1-4H3
2.1.3 InChI Key
KACHFMOHOPLTNX-UHFFFAOYSA-N
2.1.4 Canonical SMILES
COC1=CC(=CC(=C1OC)OC)C(=O)OC
2.2 Other Identifiers
2.2.1 UNII
QFP1LSC7TK
2.3 Synonyms
2.3.1 Depositor-Supplied Synonyms

1. 1916-07-0

2. Trimethylgallic Acid Methyl Ester

3. Methyl Tri-o-methylgallate

4. Benzoic Acid, 3,4,5-trimethoxy-, Methyl Ester

5. 3,4,5-trimethoxybenzoic Acid Methyl Ester

6. Methyl Eudesmate

7. 3,4,5-trimethoxybenzoic Acid, Methyl Ester

8. Methyl 3,4,5-trimethoxy Benzoate

9. Qfp1lsc7tk

10. Methyl Gallate Trimethyl Ether

11. Nsc-16955

12. Unii-qfp1lsc7tk

13. Einecs 217-629-3

14. Nsc 16955

15. Brn 2218156

16. Ai3-21154

17. Trimethoprim Ep Impurity H

18. Trimethylgallicacidmethylester

19. 4-10-00-01999 (beilstein Handbook Reference)

20. Methyl 3,5-trimethoxybenzoate

21. Schembl211747

22. Chembl1651039

23. Dtxsid0062058

24. Zinc57165

25. Chebi:192678

26. Amy22196

27. Bcp18705

28. Hy-n2044

29. Nsc16955

30. 3,4,5-trimethoxybenzoic Acid Methyl

31. Bbl009653

32. Mfcd00008431

33. S3863

34. Stk401656

35. Akos003283901

36. Ccg-266765

37. 3,5-trimethoxybenzoic Acid Methyl Ester

38. Methyl 3,4,5-trimethoxybenzoate, 98%

39. 3,5-trimethoxybenzoic Acid, Methyl Ester

40. Ac-11227

41. Ac-34705

42. As-60488

43. Benzoic Acid,4,5-trimethoxy-, Methyl Ester

44. Cs-0018534

45. Ft-0614163

46. T1092

47. Trimethoprim Impurity H [ep Impurity]

48. D70529

49. Ac-907/25014289

50. 3,4,5-trimethoxy Benzoic Acid Methyl Ester

51. Trimebutine Maleate Impurity C [ep Impurity]

52. W-107730

53. Q27287238

54. F0001-0689

55. 3,4,5-trimethoxybenzoic Acid Methyl Ester; Methyl Eudesmate; Methyl Gallate Trimethyl Ether; Methyl Tri-o-methylgallatemethyl 3,4,5-trimethoxybenzoate; Trimethylgallic Acid Methyl Ester

2.4 Create Date
2005-03-26
3 Chemical and Physical Properties
Molecular Weight 226.23 g/mol
Molecular Formula C11H14O5
XLogP31.7
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count5
Rotatable Bond Count5
Exact Mass226.08412354 g/mol
Monoisotopic Mass226.08412354 g/mol
Topological Polar Surface Area54 Ų
Heavy Atom Count16
Formal Charge0
Complexity216
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1