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Also known as: 2103-57-3, Trimethoxybenzaldehyde, Benzaldehyde, 2,3,4-trimethoxy-, Benzaldehyde, trimethoxy-, 54061-90-4, Mfcd00003310
Molecular Formula
C10H12O4
Molecular Weight
196.20  g/mol
InChI Key
UCTUXUGXIFRVGX-UHFFFAOYSA-N
FDA UNII
7ZY3UK34C4

CAS 2103-57-3
1 2D Structure

CAS 2103-57-3

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
2,3,4-trimethoxybenzaldehyde
2.1.2 InChI
InChI=1S/C10H12O4/c1-12-8-5-4-7(6-11)9(13-2)10(8)14-3/h4-6H,1-3H3
2.1.3 InChI Key
UCTUXUGXIFRVGX-UHFFFAOYSA-N
2.1.4 Canonical SMILES
COC1=C(C(=C(C=C1)C=O)OC)OC
2.2 Other Identifiers
2.2.1 UNII
7ZY3UK34C4
2.3 Synonyms
2.3.1 Depositor-Supplied Synonyms

1. 2103-57-3

2. Trimethoxybenzaldehyde

3. Benzaldehyde, 2,3,4-trimethoxy-

4. Benzaldehyde, Trimethoxy-

5. 54061-90-4

6. Mfcd00003310

7. 7zy3uk34c4

8. 2,3,4-trimethoxy-benzaldehyde

9. Einecs 258-950-9

10. Trimethoxy Benzaldehyde

11. Unii-7zy3uk34c4

12. Unii-jfk8h2k799

13. Schembl269268

14. 2,3,4-trimethoxybenz Aldehyde

15. Jfk8h2k799

16. Dtxsid6062179

17. 2,3,4-tri-methoxy Benzaldehyde

18. Act00416

19. Str05639

20. Zinc1841426

21. Einecs 218-271-0

22. Bbl010371

23. Stk506803

24. 2,3,4-trimethoxybenzaldehyde, 99%

25. Trimethoxybenzaldehyde (mixed Isomers)

26. Akos000119741

27. Ac-3239

28. Cs-w009209

29. Jc10173

30. Ps-5297

31. Sy004848

32. Ai3-36670

33. Db-024392

34. A4561

35. Am20060545

36. Ft-0609396

37. T1101

38. D70487

39. 103t573

40. Q-200163

41. Q63399810

42. 2,3,4-trimethoxybenzaldehyde, Purum, >=98.0% (hplc)

43. F0001-0752

44. Trimetazidine Dihydrochloride Impurity C [ep Impurity]

45. 2,3,4 Trimethoxybenzylaldehyde;2,3,4-trimethoxybenzaldehyde

46. 2,3,4-trimethoxybenzaldehyde, Certified Reference Material, Tracecert(r)

2.3.2 Other Synonyms

1. Benzaldehyde, 2,3,4-trimethoxy-

2. Trimethoxybenzaldehyde

2.4 Create Date
2005-03-27
3 Chemical and Physical Properties
Molecular Weight 196.20 g/mol
Molecular Formula C10H12O4
XLogP31.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count4
Exact Mass196.07355886 g/mol
Monoisotopic Mass196.07355886 g/mol
Topological Polar Surface Area44.8 Ų
Heavy Atom Count14
Formal Charge0
Complexity183
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1

BUILDING BLOCK

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