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CAS 100-06-1
PharmaCompass
CAS 100-06-1
Also known as: 100-06-1, 4-acetylanisole, 4-methoxyacetophenone, 1-(4-methoxyphenyl)ethanone, Acetanisole, Novatone
Molecular Formula
C9H10O2
Molecular Weight
150.177  g/mol
InChI Key
NTPLXRHDUXRPNE-UHFFFAOYSA-N
FDA UNII
0IRH2BR587

1 2D Structure

CAS 100-06-1

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
1-(4-methoxyphenyl)ethanone
2.1.2 InChI
InChI=1S/C9H10O2/c1-7(10)8-3-5-9(11-2)6-4-8/h3-6H,1-2H3
2.1.3 InChI Key
NTPLXRHDUXRPNE-UHFFFAOYSA-N
2.1.4 Canonical SMILES
CC(=O)C1=CC=C(C=C1)OC
2.2 Other Identifiers
2.2.1 UNII
0IRH2BR587
2.3 Synonyms
2.3.1 Depositor-Supplied Synonyms

1. 100-06-1

2. 4-acetylanisole

3. 4-methoxyacetophenone

4. 1-(4-methoxyphenyl)ethanone

5. Acetanisole

6. Novatone

7. P-methoxyacetophenone

8. Linarodin

9. Vananote

10. Ethanone, 1-(4-methoxyphenyl)-

11. 1-(4-methoxyphenyl)ethan-1-one

12. 4-methoxyphenyl Methyl Ketone

13. P-acetylanisole

14. Acetophenone, 4'-methoxy-

15. P-methoxyphenyl Methyl Ketone

16. Methyl P-methoxyphenyl Ketone

17. 4-methoxyacetofenon

18. Methyl 4-methoxyphenyl Ketone

19. Para-acetanisole

20. 4-acetoanisole

21. Anisyl, P-, Methyl Ketone

22. Unii-0irh2br587

23. 4-methoxyacetofenon [czech]

24. Nsc 209523

25. Fema No. 2005

26. P-methoxy Acetophenone

27. Einecs 202-815-9

28. Ai3-00227

29. 0irh2br587

30. Chembl401912

31. Chebi:86567

32. Ntplxrhduxrpne-uhfffaoysa-n

33. Mfcd00008745

34. 1-acetyl-4-methoxybenzene

35. Wln: 1vr Do1

36. Castoreum Anisole

37. P-methoxyactophenone

38. P-metoxyacetophenone

39. P-methoxy-acetophenon

40. Paramethoxyacetophenone

41. P -methoxyacetophenone

42. Pubchem3324

43. 4 -methoxyacetophenone

44. 4-methoxy Acetophenone

45. Para-methoxyacetophenone

46. 4'-methoxy-acetophenone

47. Acmc-1boii

48. Ac1l1ouj

49. Ac1q4fec

50. Acetophenone, P-methoxy-

51. Bmse010024

52. Ec 202-815-9

53. Dsstox_cid_24347

54. Dsstox_rid_80160

55. Dsstox_gsid_44347

56. Schembl41285

57. Ksc174k9f

58. 4-acetylanisole; Pacetanisole

59. 1-(4-methoxy-phenyl)ethanone

60. 1-(4-methoxyphenyl) Ethanone

61. 1-(4-methoxyphenyl)-ethanone

62. 4'-methoxyacetophenone, 99%

63. Jsp000055

64. 1-(4-methoxy-phenyl)-ethanone

65. 1-(4-methoxyphenyl)ethanone #

66. Dtxsid2044347

67. Schembl12015229

68. Ctk0h4592

69. Hsdb 8319

70. Ks-00000wfb

71. 1-(4-methoxyphenyl)-1-ethanone

72. 1-[4-(methyloxy)phenyl]ethanone

73. Nsc5601

74. Molport-000-831-720

75. Bb_sc-6578

76. Zinc157405

77. Acetanisole, >=98%, Fcc, Fg

78. Nsc-5601

79. Str00157

80. Tox21_300687

81. Anw-14150

82. Bdbm50376209

83. Nsc209523

84. Sbb040242

85. Stk498196

86. Akos000119536

87. 4'-methoxyacetophenone, 99% 250g

88. An-1726

89. Ls-2536

90. Mcule-1570220566

91. Ne10606

92. Nsc-209523

93. Ps-3395

94. Rtr-033388

95. Ncgc00188270-01

96. Ncgc00188270-02

97. Ncgc00254595-01

98. Ac-10916

99. Ak405360

100. Cas-100-06-1

101. Cj-01651

102. Kb-72664

103. Or025114

104. Or142282

105. Or142283

106. Or328325

107. Sc-00003

108. Zb006676

109. 4'-methoxyacetophenone, Analytical Standard

110. Ab1003998

111. Db-003499

112. Kb-204522

113. Tl8002708

114. Tr-033388

115. Bb 0258870

116. Ft-0618906

117. M0105

118. St50213402

119. Tl80073731

120. Ethyl, 2-(4-methoxyphenyl)-2-oxo-

121. 4'-methoxyacetophenone, Purum, >=99.0% (gc)

122. Ab-131/40174083

123. I01-6583

124. W-108978

125. Z53832960

126. F0001-0007

127. Inchi=1/c9h10o2/c1-7(10)8-3-5-9(11-2)6-4-8/h3-6h,1-2h

2.4 Create Date
2005-03-26
3 Chemical and Physical Properties
Molecular Weight 150.177 g/mol
Molecular Formula C9H10O2
XLogP31.7
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Exact Mass150.068 g/mol
Monoisotopic Mass150.068 g/mol
Topological Polar Surface Area26.3 A^2
Heavy Atom Count11
Formal Charge0
Complexity135
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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