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ACTIVE PHARMA INGREDIENTS

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Synopsis

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Chemistry

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Also known as: 118-41-2, Eudesmic acid, Trimethylgallic acid, Gallic acid trimethyl ether, Tri-o-methylgallic acid, Benzoic acid, 3,4,5-trimethoxy-

Molecular Formula

C₁₀H₁₂O₅

Molecular Weight

212.20 g/mol

InChI Key

SJSOFNCYXJUNBT-UHFFFAOYSA-N

FDA UNII

V5C9H0SC9F

3,4,5-trimethoxybenzoic acid is a natural product found in Verbesina myriocephala, Engelhardia roxburghiana, and other organisms with data available.

1 2D Structure

Eudesmic acid

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

3,4,5-trimethoxybenzoic acid

2.1.2 InChI

InChI=1S/C10H12O5/c1-13-7-4-6(10(11)12)5-8(14-2)9(7)15-3/h4-5H,1-3H3,(H,11,12)

2.1.3 InChI Key

SJSOFNCYXJUNBT-UHFFFAOYSA-N

2.1.4 Canonical SMILES

COC1=CC(=CC(=C1OC)OC)C(=O)O

2.2 Other Identifiers

2.2.1 UNII

V5C9H0SC9F

2.3 Synonyms

2.3.1 MeSH Synonyms

1. 3,4,5-trimethoxybenzoic Acid, Potassium Salt

2. 3,4,5-trimethoxybenzoic Acid, Sodium Salt

3. Eudesmic Acid

2.3.2 Depositor-Supplied Synonyms

1. 118-41-2

2. Eudesmic Acid

3. Trimethylgallic Acid

4. Gallic Acid Trimethyl Ether

5. Tri-o-methylgallic Acid

6. Benzoic Acid, 3,4,5-trimethoxy-

7. Veratric Acid, 5-methoxy-

8. 3,4,5-trimethoxy-benzoic Acid

9. 5-methoxy-veratric Acid

10. Nsc 2525

11. Mfcd00002501

12. Trimethoprim Ep Impurity J

13. V5c9h0sc9f

14. Chebi:454991

15. Nsc2525

16. Nsc-2525

17. 3,4,5-tri(methoxy-d3)-benzoic Acid

18. 3,4,5-trimethoxy Benzoic Acid

19. Unii-v5c9h0sc9f

20. Trimethylgallicacid

21. H5a

22. Einecs 204-248-2

23. Spectrum_000082

24. Specplus_000919

25. Ai3-21153

26. Spectrum2_000791

27. Spectrum3_000260

28. Spectrum4_001625

29. Spectrum5_000409

30. Ec 204-248-2

31. 3,5-trimethoxybenzoic Acid

32. Schembl6592

33. Oprea1_180796

34. Bspbio_001680

35. Cbdive_013176

36. Cbdive_014084

37. Kbiogr_002029

38. Kbioss_000502

39. Mls002207176

40. Divk1c_007015

41. Spbio_000922

42. Benzoic Acid,4,5-trimethoxy-

43. Chembl377172

44. 3,4,5 Trimethoxy Benzoic Acid

45. 3,4,5-?trimethoxybenzoic Acid

46. Dtxsid3059472

47. Bdbm92458

48. Kbio1_001959

49. Kbio2_000502

50. Kbio2_003070

51. Kbio2_005638

52. Kbio3_001180

53. Zinc347833

54. Bcp27297

55. Hy-y0084

56. Str02399

57. Bbl009652

58. Ccg-40169

59. S3862

60. Stk246307

61. Akos000113542

62. Ac-2858

63. Am86360

64. Ps-7989

65. Hydrogen(t-4)-bis[3,5-bis(1,1-dimethylethyl)-2-hydroxybenzoato(2-)-o1, O2]aluminate(1-)

66. Ncgc00179094-01

67. Smr000112093

68. Cs-0008360

69. Ft-0614161

70. Ft-0675586

71. T0705

72. Trimethoprim Impurity J [ep Impurity]

73. J-521468

74. Q-200337

75. Q3278222

76. Trimebutine Maleate Impurity B [ep Impurity]

77. 3,4,5-trimethoxybenzoic Acid, Reagentplus(r), 99%

78. F2191-0131

79. 3,4,5-trimethoxybenzoic Acid, Vetec(tm) Reagent Grade, 99%

80. Eudesmic Acid; 3,4,5-trimethoxybenzoic Acid; Trimethylgallic Acid; 5-methoxy-veratric Acid; Gallic Acid Trimethyl Ether

2.4 Create Date

2005-03-26

3 Chemical and Physical Properties

Molecular Formula	C₁₀H₁₂O₅
Molecular Weight	212.20 g/mol
XLogP3	1.4
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	4
Exact Mass	212.06847348 g/mol
Monoisotopic Mass	212.06847348 g/mol
Topological Polar Surface Area	65 Å²
Heavy Atom Count	15
Formal Charge	0
Complexity	204
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1

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