CAS 104-01-8

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Also known as: 104-01-8, 2-(4-methoxyphenyl)acetic acid, Homoanisic acid, Benzeneacetic acid, 4-methoxy-, (4-methoxyphenyl)acetic acid, P-methoxyphenylacetic acid

Molecular Formula

C₉H₁₀O₃

Molecular Weight

166.17 g/mol

InChI Key

NRPFNQUDKRYCNX-UHFFFAOYSA-N

FDA UNII

AJP2V8U5K6

4-methoxyphenylacetic acid is a natural product found in Gloeophyllum odoratum, Berberis koreana, and other organisms with data available.

1 2D Structure

CAS 104-01-8

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

2-(4-methoxyphenyl)acetic acid

2.1.2 InChI

InChI=1S/C9H10O3/c1-12-8-4-2-7(3-5-8)6-9(10)11/h2-5H,6H2,1H3,(H,10,11)

2.1.3 InChI Key

NRPFNQUDKRYCNX-UHFFFAOYSA-N

2.1.4 Canonical SMILES

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

2.2 Other Identifiers

2.2.1 UNII

AJP2V8U5K6

2.3 Synonyms

2.3.1 MeSH Synonyms

1. 3-methoxyphenylacetic Acid

2. 3-methoxyphenylacetic Acid, Potassium Salt

3. P-methoxyphenylacetic Acid

2.3.2 Depositor-Supplied Synonyms

1. 104-01-8

2. 2-(4-methoxyphenyl)acetic Acid

3. Homoanisic Acid

4. Benzeneacetic Acid, 4-methoxy-

5. (4-methoxyphenyl)acetic Acid

6. P-methoxyphenylacetic Acid

7. 4-methoxybenzeneacetic Acid

8. 2-(p-anisyl)acetic Acid

9. (p-methoxyphenyl)acetic Acid

10. 4-methoxyphenylaceticacid

11. P-methoxy-alpha-toluic Acid

12. Mfcd00004345

13. Nsc 27799

14. P-anisylacetic Acid

15. Chebi:55501

16. Acetic Acid, (p-methoxyphenyl)-

17. Ajp2v8u5k6

18. (4-methoxy-phenyl)-acetic Acid

19. Nsc-27799

20. Nsc-65597

21. 4-methoxyphenylacetate

22. Wln: Qv1r Do1

23. Einecs 203-166-4

24. 4-methoxyphenyl Acetic Acid

25. Brn 1101737

26. Homoanisate

27. Acetic Acid, P-methoxyphenyl-

28. Homo-p-anisic Acid

29. P-methoxy-a-toluate

30. 2-(p-anisyl)acetate

31. P-methoxyphenyl-acetate

32. 4-methoxybenzeneacetate

33. P-methoxy-alpha-toluate

34. 4-methoxy-benzeneacetate

35. 4-methoxyphenacetic Acid

36. (p-methoxyphenyl)acetate

37. P-methoxy-a-toluic Acid

38. Epitope Id:119696

39. P-methoxyphenyl Acetic Acid

40. P-methoxyphenyl-acetic Acid

41. Unii-ajp2v8u5k6

42. 4-methoxy Phenylacetic Acid

43. Para-methoxyphenylacetic Acid

44. (4-methoxy-phenyl)-acetate

45. 4-methoxy-benzeneacetic Acid

46. Nciopen2_000187

47. P-methoxy Phenyl Acetic Acid

48. Schembl240822

49. (4-methoxyphenyl)-acetic Acid

50. (4methoxy-phenyl)-acetic Acid

51. (4-methoxyphenyl)ethanoic Acid

52. P-methoxy-.alpha.-toluic Acid

53. Chembl1760597

54. Dtxsid1059288

55. 2-(4-methoxyphenyl)-acetic Acid

56. [4-(methyloxy)phenyl]acetic Acid

57. Bdbm231634

58. Zinc157067

59. Bcp27492

60. Nsc27799

61. Nsc65597

62. Str06306

63. Bbl009361

64. S6273

65. Stk498739

66. Akos000119748

67. 2-(p-methoxyphenyl)acetic Acid

68. Ac-2432

69. Cs-w004206

70. Hy-w004206

71. Ps-3381

72. Sy001095

73. Am20060481

74. Ft-0618952

75. M0742

76. D70488

77. 4-methoxyphenylacetic Acid, Reagentplus(r), 99%

78. Ae-562/40223956

79. J-001093

80. 1-(3-chlorophenyl)-4-(3-chloropropyl)piperazine Hcl

81. Q63398108

82. F3308-1732

83. Z149351090

84. 4-methoxyphenylacetic Acid, Vetec(tm) Reagent Grade, 98%

2.4 Create Date

2005-03-26

3 Chemical and Physical Properties

Molecular Formula	C₉H₁₀O₃
Molecular Weight	166.17 g/mol
XLogP3	1.4
Hydrogen Bond Donor Count	1
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	46.5 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	148
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