CAS 2103-57-3

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3 End Use APIs
41 Related Intermediates

Chemistry

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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

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 Formula	C₁₀H₁₂O₄
Molecular Weight	196.20 g/mol
XLogP3	1.3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	4
Exact Mass	196.07355886 g/mol
Monoisotopic Mass	196.07355886 g/mol
Topological Polar Surface Area	44.8 Å²
Heavy Atom Count	14
Formal Charge	0
Complexity	183
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