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Also known as: 93-40-3, 3,4-dimethoxyphenylacetic acid, 2-(3,4-dimethoxyphenyl)acetic acid, (3,4-dimethoxyphenyl)acetic acid, Benzeneacetic acid, 3,4-dimethoxy-, (3,4-dimethoxyphenyl) acetic acid
Molecular Formula
C10H12O4
Molecular Weight
196.20  g/mol
InChI Key
WUAXWQRULBZETB-UHFFFAOYSA-N
FDA UNII
YY50GIT3C7

CAS 93-40-3
3,4-dimethoxyphenylacetic acid is a natural product found in Olea europaea and Zingiber officinale with data available.
1 2D Structure

CAS 93-40-3

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
2-(3,4-dimethoxyphenyl)acetic acid
2.1.2 InChI
InChI=1S/C10H12O4/c1-13-8-4-3-7(6-10(11)12)5-9(8)14-2/h3-5H,6H2,1-2H3,(H,11,12)
2.1.3 InChI Key
WUAXWQRULBZETB-UHFFFAOYSA-N
2.1.4 Canonical SMILES
COC1=C(C=C(C=C1)CC(=O)O)OC
2.2 Other Identifiers
2.2.1 UNII
YY50GIT3C7
2.3 Synonyms
2.3.1 MeSH Synonyms

1. (3,4-dimethoxyphenyl)acetic Acid

2.3.2 Depositor-Supplied Synonyms

1. 93-40-3

2. 3,4-dimethoxyphenylacetic Acid

3. 2-(3,4-dimethoxyphenyl)acetic Acid

4. (3,4-dimethoxyphenyl)acetic Acid

5. Benzeneacetic Acid, 3,4-dimethoxy-

6. (3,4-dimethoxyphenyl) Acetic Acid

7. 3,4-dimethoxyphenylaceticacid

8. 3,4-dimethoxybenzeneacetic Acid

9. 3,4-dimethoxyphenyl Acetic Acid

10. Homoveratrumic Acid

11. (3,4-dimethoxy-phenyl)-acetic Acid

12. Acetic Acid, (3,4-dimethoxyphenyl)-

13. 3,4-(dimethoxy)benzeneacetic Acid

14. Mfcd00004335

15. Yy50git3c7

16. Nsc-2753

17. Nsc-27897

18. 2-(3,4-dimethoxyphenyl)ethanoic Acid

19. Benzeneacetic Acid,4-dimethoxy-

20. Acetic Acid,4-dimethoxyphenyl)-

21. 3,4-(dimethoxyphenyl) Acetic Acid

22. Nsc 2753

23. Einecs 202-244-5

24. Brn 1110282

25. Homoveratrate

26. Homovaretic Acid

27. Ai3-23354

28. 2-(3,4-dimethoxyphenyl)aceticacid

29. Chemdiv3_014360

30. 3,4-dimethoxyphenylacetate

31. Bmse000682

32. Unii-yy50git3c7

33. 3,4-dimethoxybenzeneacetate

34. (3,4-dimethoxyphenyl)acetate

35. Schembl153055

36. 3,4-dimethoxy-phenylacetic Acid

37. 3,4-dimethoxyphenyl-acetic Acid

38. Dtxsid5059086

39. Chebi:86655

40. Nsc2753

41. Hms1513m16

42. Kuc108679n

43. Zinc156504

44. 3,4-dimethyloxy Phenyl Acetic Acid

45. Acetic Acid, 3,4-dimethoxyphenyl-

46. Hy-y0771

47. Nsc27897

48. S3961

49. Stk299264

50. 3,4-dimethoxyphenylacetic Acid, 98%

51. Akos000119394

52. Bs-4085

53. Ccg-266554

54. Cs-w020108

55. Alpha-(3,4-dimethoxyphenyl)acetic Acid

56. Idi1_030158

57. Ac-15716

58. Ksc-11-262-2

59. Sy006121

60. Am20060235

61. Bb 0248998

62. D0640

63. Eu-0066571

64. Ft-0612084

65. H-3300

66. Ak-968/41169417

67. Homoveratric Acid, Vetec(tm) Reagent Grade, 98%

68. Sr-01000596943

69. (3,4-dimethoxyphenyl)acetic Acid(homoveratric Acid)

70. Sr-01000596943-1

71. Q10395556

72. Z56924495

73. F0902-7631

2.4 Create Date
2005-03-26
3 Chemical and Physical Properties
Molecular Weight 196.20 g/mol
Molecular Formula C10H12O4
XLogP31
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count4
Exact Mass196.07355886 g/mol
Monoisotopic Mass196.07355886 g/mol
Topological Polar Surface Area55.8 Ų
Heavy Atom Count14
Formal Charge0
Complexity193
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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