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Also known as: 573-11-5, 2,3,4-trimethoxy-benzoic acid, Benzoic acid, 2,3,4-trimethoxy-, Mfcd00002433, Benzoic acid, trimethoxy-, Einecs 209-350-0

Molecular Formula

C₁₀H₁₂O₅

Molecular Weight

212.20 g/mol

InChI Key

HZNQSWJZTWOTKM-UHFFFAOYSA-N

1 2D Structure

2,3,4-Trimethoxybenzoic Acid

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

2,3,4-trimethoxybenzoic acid

2.1.2 InChI

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

2.1.3 InChI Key

HZNQSWJZTWOTKM-UHFFFAOYSA-N

2.1.4 Canonical SMILES

COC1=C(C(=C(C=C1)C(=O)O)OC)OC

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 573-11-5

2. 2,3,4-trimethoxy-benzoic Acid

3. Benzoic Acid, 2,3,4-trimethoxy-

4. Mfcd00002433

5. Benzoic Acid, Trimethoxy-

6. Einecs 209-350-0

7. Trimethoxybenzoic Acid

8. 50855-25-9

9. Ap-065/41884107

10. Schembl102827

11. Dtxsid00205912

12. Zinc156455

13. Act00249

14. Bcp34374

15. Bbl027380

16. Ck2163

17. Stl257458

18. Akos000119569

19. Cs-w014274

20. Gs-3092

21. 2,3,4-trimethoxybenzoic Acid, >=98%

22. Ac-11256

23. Sy020854

24. Db-005822

25. Ds-007130

26. Am20060674

27. Ft-0601238

28. T1116

29. 573t115

30. Benzoic Acid, Trimethoxy-;trimetazidine Impurity 4

31. W-105474

32. Q63408785

33. F2191-0077

34. Z219997442

2.3 Create Date

2005-03-26

3 Chemical and Physical Properties

Molecular Formula	C₁₀H₁₂O₅
Molecular Weight	212.20 g/mol
XLogP3	1.7
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	218
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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2,3,4-Trimethoxybenzoic Acid

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