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Also known as: 556-08-1, Acedoben, P-acetamidobenzoic acid, 4-(acetylamino)benzoic acid, P-acetylamino benzoic acid, 4-carboxyacetanilide
Molecular Formula
C9H9NO3
Molecular Weight
179.17  g/mol
InChI Key
QCXJEYYXVJIFCE-UHFFFAOYSA-N
FDA UNII
04Z20NMK31

CAS	556-08-1
4-Acetamidobenzoic acid is a natural product found in Baeospora myosura with data available.
1 2D Structure

CAS	556-08-1

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
4-acetamidobenzoic acid
2.1.2 InChI
InChI=1S/C9H9NO3/c1-6(11)10-8-4-2-7(3-5-8)9(12)13/h2-5H,1H3,(H,10,11)(H,12,13)
2.1.3 InChI Key
QCXJEYYXVJIFCE-UHFFFAOYSA-N
2.1.4 Canonical SMILES
CC(=O)NC1=CC=C(C=C1)C(=O)O
2.2 Other Identifiers
2.2.1 UNII
04Z20NMK31
2.3 Synonyms
2.3.1 MeSH Synonyms

1. 4-acetamidobenzoic Acid, Sodium Salt

2. Acedoben

3. Acetyl-p-aminobenzoic Acid

4. Fibroderm

5. P-acetamidobenzoic Acid

6. Pacba

7. Para-acetamidobenzoic Acid

2.3.2 Depositor-Supplied Synonyms

1. 556-08-1

2. Acedoben

3. P-acetamidobenzoic Acid

4. 4-(acetylamino)benzoic Acid

5. P-acetylamino Benzoic Acid

6. 4-carboxyacetanilide

7. Benzoic Acid, 4-(acetylamino)-

8. 4-acetylaminobenzoic Acid

9. P-acetoaminobenzoic Acid

10. Paab

11. N-acetyl-p-aminobenzoic Acid

12. P-acetaminobenzoic Acid

13. P-acetylaminobenzoic Acid

14. N-acetyl-paba

15. 4'-carboxyacetanilide

16. Para Acetamido Benzoic Acid

17. Acedoben [inn]

18. Acedobene

19. Acedobenum

20. Benzoic Acid, P-acetamido-

21. Nsc 4002

22. Mfcd00002534

23. P-acetaminobenzoic A

24. Nsc-4002

25. Dtxsid5024392

26. Chebi:46171

27. 04z20nmk31

28. Ncgc00090820-01

29. Acedoben [inn-spanish]

30. Acedobene [inn-french]

31. Acedobenum [inn-latin]

32. Dtxcid504392

33. 4-acetamidobenzoicacid

34. 4-acetamidobenzoic Acid;n-acetyl-paba;4'-carboxyacetanilide

35. Cas-556-08-1

36. 4-acetamido Benzoic Acid

37. Einecs 209-114-7

38. Unii-04z20nmk31

39. Ai3-16506

40. P-carboxyacetanilide

41. 4-'carboxyacetanilide

42. 4-acetamido-benzoic Acid

43. Para-acetamidobenzoic Acid

44. Acedoben [mart.]

45. 4-acetylamino-benzoic Acid

46. Acedoben [who-dd]

47. P-(acetylamino)benzoic Acid

48. Benzoic Acid, 4-acetamido-

49. Nciopen2_002351

50. Nciopen2_002391

51. Nciopen2_002646

52. Nciopen2_002848

53. Nciopen2_007737

54. Nciopen2_007777

55. Oprea1_415903

56. Schembl24320

57. 4-(acetylamino)-benzoic Acid

58. Mls002415768

59. 4-acetamidobenzoic Acid (4)

60. 4-acetamidobenzoic Acid, 98%

61. Chembl112687

62. P-acetaminophenylcarboxylic Acid

63. Nsc4002

64. Bdbm239165

65. Hms1715d16

66. Hms2269g12

67. Hms3264f12

68. Pharmakon1600-01502412

69. Hy-b1250

70. Para-acetamidobenzoic Acid (pacba)

71. Str03473

72. Tox21_111029

73. Tox21_200330

74. Ac1876

75. Nsc760374

76. Stl137727

77. N-(4-carboxyphenyl)acetic Acid Amide

78. Akos000104745

79. Tox21_111029_1

80. Ccg-213838

81. Db04500

82. Nsc-760374

83. Ncgc00090820-02

84. Ncgc00090820-03

85. Ncgc00257884-01

86. Smr000112099

87. Sy028998

88. A0013

89. Cs-0013043

90. Ns00009420

91. En300-17813

92. 8n-772

93. Ab00375897_07

94. Sr-01000868873

95. Q2823222

96. Sr-01000868873-2

97. W-105553

98. Z57042001

99. F9995-0288

100. Inchi=1/c9h9no3/c1-6(11)10-8-4-2-7(3-5-8)9(12)13/h2-5h,1h3,(h,10,11)(h,12,13

2.4 Create Date
2005-03-26
3 Chemical and Physical Properties
Molecular Weight 179.17 g/mol
Molecular Formula C9H9NO3
XLogP31.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Exact Mass g/mol
Monoisotopic Mass g/mol
Topological Polar Surface Area66.4
Heavy Atom Count13
Formal Charge0
Complexity207
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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