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Overview

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120-14-9
PharmaCompass
120-14-9
Also known as: 3,4-dimethoxybenzaldehyde, 120-14-9, Veratric aldehyde, Methylvanillin, Vanillin methyl ether, Veratral
Molecular Formula
C9H10O3
Molecular Weight
166.17  g/mol
InChI Key
WJUFSDZVCOTFON-UHFFFAOYSA-N
FDA UNII
UI88P68JZD

1 2D Structure

120-14-9

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. 3,4-dimethoxybenzaldehyde

2.3.2 Depositor-Supplied Synonyms

1. 3,4-dimethoxybenzaldehyde

2. 120-14-9

3. Veratric Aldehyde

4. Methylvanillin

5. Vanillin Methyl Ether

6. Veratral

7. Veratryl Aldehyde

8. Benzaldehyde, 3,4-dimethoxy-

9. Veratrum Aldehyde

10. P-veratric Aldehyde

11. 4-o-methylvanillin

12. 3,4-dimethoxy Benzaldehyde

13. 3,4-dimethoxybenzenecarbonal

14. Protocatechualdehyde Dimethyl Ether

15. Protocatechuic Aldehyde Dimethyl Ether

16. Protocatechuecaldehyde Dimethyl Ether

17. 3,4-dimethoxy-benzaldehyde

18. Unii-ui88p68jzd

19. Mfcd00003363

20. Nsc 24521

21. Fema No. 3109

22. Ccris 6285

23. Einecs 204-373-2

24. 3, 4-dimethoxybenzaldehyde

25. Brn 0473899

26. Ui88p68jzd

27. Ai3-08099

28. Chebi:17098

29. Fema 3109

30. Wjufsdzvcotfon-uhfffaoysa-n

31. 3,4-dimethoxybenzaldehyde (veratraldehyde)

32. Benzaldehyde,4-dimethoxy-

33. Dsstox_cid_6285

34. Dsstox_rid_78087

35. Dsstox_gsid_26285

36. Wln: Vhr Co1 Do1

37. 3,4-dimethoxybenzaldehyde, 99+%

38. Cas-120-14-9

39. Veratrumaldehyde

40. Pubchem8238

41. Veratrylaldehyde

42. 3,4dimethoxybenzaldehyde

43. 3,4-dimethoxybenzaldeyde

44. Ac1l1qyk

45. Ac1q4fdu

46. 3,4 Dimethoxybenzaldehyde

47. 3,4-dimethoxybenzaidehyde

48. 4,3-dimethoxybenzaldehyde

49. 4,5-dimethoxybenzaldehyde

50. Acmc-209a6e

51. Bmse010220

52. Schembl25202

53. Ksc175e8j

54. Veratraldehyde, >=98%, Fg

55. Ac1q46t0

56. Chembl1088937

57. Dtxsid7026285

58. Ctk0h5284

59. Timtec-bb Sbb040236

60. Nsc8500

61. 3,4-dimethoxybenzaldehyde, 99%

62. Otava-bb 1180632

63. 3,4-dimethoxybenzaldehhyde

64. Zinc155456

65. Act06905

66. Ks-00000az9

67. Nsc-8500

68. Nsc24521

69. Akos Bbs-00003208

70. Tox21_201566

71. Tox21_303074

72. Anw-17460

73. Bbl010373

74. Labotest-bb Lt00235863

75. Labotest-bb Lt03331050

76. Ls-628

77. Nsc-24521

78. Sbb040236

79. Stk188425

80. Vanillin Methyl Ether; Veratraldehyde

81. Akos000118989

82. Acn-051072

83. As02987

84. Cm13990

85. Cs-w019906

86. Mcule-1202068347

87. Ne10275

88. Rp22905

89. Rtc-010113

90. Tra0003531

91. Ncgc00091642-01

92. Ncgc00091642-02

93. Ncgc00091642-03

94. Ncgc00257217-01

95. Ncgc00259115-01

96. 4cn-0811

97. Ac-10201

98. Aj-13584

99. Ak-46721

100. An-22815

101. As-11996

102. Bc622797

103. Br-46721

104. Cj-01437

105. Sc-00570

106. Sy004136

107. Tl806334

108. Zb006061

109. Benzaldehyde, 3,4-dimethoxy-veratraldehyde

110. Ab1000043

111. Db-014213

112. St2410267

113. Tc-010113

114. Am20050100

115. D0507

116. Ft-0600118

117. St45169641

118. Mfcd00003363 (98%)

119. C02201

120. 107052-ep2295423a1

121. 107052-ep2298744a2

122. 107052-ep2374783a1

123. 107052-ep2377841a1

124. Ah-034/32845024

125. I01-2283

126. W-108485

127. F2190-0618

128. Inchi=1/c9h10o3/c1-11-8-4-3-7(6-10)5-9(8)12-2/h3-6h,1-2h

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

130. 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 Mass166.062994 g/mol
Monoisotopic Mass166.062994 g/mol
Topological Polar Surface Area35.5
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
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