CAS 613-45-6

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Also known as: 613-45-6, Benzaldehyde, 2,4-dimethoxy-, Mfcd00003311, 2,4-dimethoxy-benzaldehyde, Mm3u32aq5f, Mls000723769

Molecular Formula

C₉H₁₀O₃

Molecular Weight

166.17 g/mol

InChI Key

LWRSYTXEQUUTKW-UHFFFAOYSA-N

FDA UNII

MM3U32AQ5F

1 2D Structure

CAS 613-45-6

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

2,4-dimethoxybenzaldehyde

2.1.2 InChI

InChI=1S/C9H10O3/c1-11-8-4-3-7(6-10)9(5-8)12-2/h3-6H,1-2H3

2.1.3 InChI Key

LWRSYTXEQUUTKW-UHFFFAOYSA-N

2.1.4 Canonical SMILES

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

2.2 Other Identifiers

2.2.1 UNII

MM3U32AQ5F

2.3 Synonyms

2.3.1 Depositor-Supplied Synonyms

1. 613-45-6

2. Benzaldehyde, 2,4-dimethoxy-

3. Mfcd00003311

4. 2,4-dimethoxy-benzaldehyde

5. Mm3u32aq5f

6. Mls000723769

7. Nsc-27023

8. Smr000305364

9. Einecs 210-342-4

10. Nsc 27023

11. Ai3-21269

12. 2,4-bis(methyloxy)benzaldehyde

13. 2,4dimethoxybenzaldehyde

14. Argopore(tm)-mb-cho

15. 2,4-dimethoxybenzaldehye

16. 2.4-dimethoxybenzaldehye

17. Opera_id_1127

18. 4,6-dimethoxybenzaldehyde

19. 2,4 Dimethoxybenzaldehyde

20. 2,4 Dimethoxylbenzaldehyde

21. Unii-mm3u32aq5f

22. 2,4-dimethox-ybenzaldehyde

23. 2,4-dimethoxy Benzaldehyde

24. Schembl96291

25. Chembl234216

26. Dtxsid3022081

27. 2,4-dimethoxybenzaldehyde, 98%

28. Hms2627k12

29. Zinc157150

30. Act00462

31. Nsc27023

32. Str06383

33. Dimethoxybenzaldehyde, 2,4-

34. Bbl014083

35. Stk199258

36. Akos000118830

37. Ac-8396

38. Am10617

39. Cs-w020102

40. Ncgc00245850-01

41. Bp-12432

42. Sy012897

43. Db-019963

44. D0626

45. Ft-0610132

46. 2-hydroxy-4-methoxybenzaldehyde, Methyl Ether

47. Ab00590421-08

48. 613d456

49. A833177

50. Ak-087/40243220

51. Q4596778

52. W-105165

53. F0913-0489

54. (4-formyl-3-methoxyphenoxymethyl)polystyrene, 100-200 Mesh, Extent Of Labeling: 1.0-1.5 Mmol/g Loading, 1 % Cross-linked With Divinylbenzene

55. Stratospheres(tm) Pl-fmp Resin, 100-200 Mesh, Extent Of Labeling: 0.9 Mmol/g Loading, 1 % Cross-linked

56. Stratospheres(tm) Pl-fmp Resin, 50-100 Mesh, Extent Of Labeling: 1.6 Mmol/g Loading, 1 % Cross-linked

2.4 Create Date

2005-03-26

3 Chemical and Physical Properties

Molecular Formula	C₉H₁₀O₃
Molecular Weight	166.17 g/mol
XLogP3	1.7
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	3
Exact Mass	166.062994177 g/mol
Monoisotopic Mass	166.062994177 g/mol
Topological Polar Surface Area	35.5 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	147
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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