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2D Structure
Also known as: Veratraldehyde, 120-14-9, Veratric aldehyde, Methylvanillin, Vanillin methyl ether, Benzaldehyde, 3,4-dimethoxy-
Molecular Formula
C9H10O3
Molecular Weight
166.17  g/mol
InChI Key
WJUFSDZVCOTFON-UHFFFAOYSA-N
FDA UNII
UI88P68JZD

veratraldehyde is a natural product found in Polygala senega, Pluchea sagittalis, and other organisms with data available.
1 2D Structure

2D Structure

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
3,4-dimethoxybenzaldehyde
2.1.2 InChI
InChI=1S/C9H10O3/c1-11-8-4-3-7(6-10)5-9(8)12-2/h3-6H,1-2H3
2.1.3 InChI Key
WJUFSDZVCOTFON-UHFFFAOYSA-N
2.1.4 Canonical SMILES
COC1=C(C=C(C=C1)C=O)OC
2.2 Other Identifiers
2.2.1 UNII
UI88P68JZD
2.3 Synonyms
2.3.1 MeSH Synonyms

1. Veratraldehyde

2.3.2 Depositor-Supplied Synonyms

1. Veratraldehyde

2. 120-14-9

3. Veratric Aldehyde

4. Methylvanillin

5. Vanillin Methyl Ether

6. Benzaldehyde, 3,4-dimethoxy-

7. Veratral

8. Veratryl Aldehyde

9. Veratrum Aldehyde

10. 3,4-dimethoxy Benzaldehyde

11. P-veratric Aldehyde

12. 4-o-methylvanillin

13. 3,4-dimethoxybenzenecarbonal

14. Protocatechualdehyde Dimethyl Ether

15. Protocatechuic Aldehyde Dimethyl Ether

16. 3,4-dimethoxy-benzaldehyde

17. Protocatechuecaldehyde Dimethyl Ether

18. Mfcd00003363

19. Nsc 24521

20. Fema No. 3109

21. 3, 4-dimethoxybenzaldehyde

22. Ui88p68jzd

23. Verapamil Related Compound E

24. Chebi:17098

25. Nsc-8500

26. Nsc-24521

27. Benzaldehyde,4-dimethoxy-

28. Dsstox_cid_6285

29. Dsstox_rid_78087

30. Dsstox_gsid_26285

31. Wln: Vhr Co1 Do1

32. Cas-120-14-9

33. Ccris 6285

34. Einecs 204-373-2

35. Unii-ui88p68jzd

36. Brn 0473899

37. Veratrumaldehyde

38. Ai3-08099

39. Fema 3109

40. 3,4dimethoxybenzaldehyde

41. 3,4-dimethoxybenzaldeyde

42. 3,4 Dimethoxybenzaldehyde

43. 3,4-dimethoxybenzaidehyde

44. 4,3-dimethoxybenzaldehyde

45. 4,5-dimethoxybenzaldehyde

46. Bmse010220

47. Veratraldehyde [mi]

48. Veratraldehyde [fcc]

49. Schembl25202

50. Veratraldehyde-[alpha-13c]

51. Veratraldehyde [fhfi]

52. Veratraldehyde, >=98%, Fg

53. Chembl1088937

54. Dtxsid7026285

55. Nsc8500

56. 3,4-dimethoxybenzaldehyde, 99%

57. Zinc155456

58. Act06905

59. Hy-n1096

60. Nsc24521

61. Tox21_201566

62. Tox21_303074

63. Bbl010373

64. S3214

65. Stk188425

66. Akos000118989

67. Cs-w019906

68. Ncgc00091642-01

69. Ncgc00091642-02

70. Ncgc00091642-03

71. Ncgc00257217-01

72. Ncgc00259115-01

73. Ac-10201

74. Ac-34441

75. As-11996

76. Sy004136

77. Benzaldehyde, 3,4-dimethoxy-veratraldehyde

78. Veratraldehyde (3,4-dimethoxybenzaldehyde)

79. Db-014213

80. Am20050100

81. D0507

82. Ft-0600118

83. Ft-0667232

84. Verapamil Related Compound E [usp-rs]

85. C02201

86. Ah-034/32845024

87. Q414395

88. Verapamil Related Compound E [usp Impurity]

89. W-108485

90. F2190-0618

91. Verapamil Hydrochloride Impurity G [ep Impurity]

92. Verapamil Related Compound E, United States Pharmacopeia (usp) Reference Standard

93. 3,4-dimethoxybenzaldehyde (verapamil Related Compound E - Usp), Pharmaceutical Secondary Standard; Certified Reference Material

2.4 Create Date
2004-09-16
3 Chemical and Physical Properties
Molecular Weight 166.17 g/mol
Molecular Formula C9H10O3
XLogP31.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Exact Mass166.062994177 g/mol
Monoisotopic Mass166.062994177 g/mol
Topological Polar Surface Area35.5 Ų
Heavy Atom Count12
Formal Charge0
Complexity147
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1