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Also known as: 2-acetonaphthone, 93-08-3, 2'-acetonaphthone, 1-(naphthalen-2-yl)ethanone, Methyl 2-naphthyl ketone, Ethanone, 1-(2-naphthalenyl)-

Molecular Formula

C₁₂H₁₀O

Molecular Weight

170.21 g/mol

InChI Key

XSAYZAUNJMRRIR-UHFFFAOYSA-N

FDA UNII

21D49LOP2T

1 2D Structure

CAS 93-08-3

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

1-naphthalen-2-ylethanone

2.1.2 InChI

InChI=1S/C12H10O/c1-9(13)11-7-6-10-4-2-3-5-12(10)8-11/h2-8H,1H3

2.1.3 InChI Key

XSAYZAUNJMRRIR-UHFFFAOYSA-N

2.1.4 Canonical SMILES

CC(=O)C1=CC2=CC=CC=C2C=C1

2.2 Other Identifiers

2.2.1 UNII

21D49LOP2T

2.3 Synonyms

2.3.1 Depositor-Supplied Synonyms

1. 2-acetonaphthone

2. 93-08-3

3. 2'-acetonaphthone

4. 1-(naphthalen-2-yl)ethanone

5. Methyl 2-naphthyl Ketone

6. Ethanone, 1-(2-naphthalenyl)-

7. Acetonaphthone

8. 1-(2-naphthyl)ethanone

9. 2-naphthyl Methyl Ketone

10. Methyl Beta-naphthyl Ketone

11. Oranger Cyrstals

12. 1-naphthalen-2-ylethanone

13. Beta-acetonaphthalene

14. 1-(2-naphthalenyl)ethanone

15. Oranger Crystals

16. Ketone, Methyl 2-naphthyl

17. Cetone D

18. Beta-acetonaphthone

19. Beta-acetylnaphthalene

20. Beta-naphthyl Methyl Ketone

21. 1-(naphthyl)ethan-1-one

22. 1-(naphthalen-2-yl)ethan-1-one

23. 1333-52-4

24. .beta.-acetonaphthone

25. Fema No. 2723

26. Nsc 7658

27. 2-acetyl Naphthalene

28. Methyl .beta.-naphthyl Ketone

29. .beta.-acetonaphthalene

30. .beta.-acetylnaphthalene

31. Mfcd00004108

32. 1-naphthalen-2-yl-ethanone

33. .beta.-methyl Naphthyl Ketone

34. .beta.-naphthyl Methyl Ketone

35. 21d49lop2t

36. Chebi:52364

37. Nsc-7658

38. Ccris 6558

39. Einecs 202-216-2

40. Brn 0774965

41. Unii-21d49lop2t

42. Ai3-00642

43. 2-acetylnaphthlene

44. 2-acetyl Napthalene

45. Beta -acetonaphthone

46. 2-acetyl-naphthalene

47. Beta -acetonaphthalene

48. Beta -acetylnaphthalene

49. Unii-hgy15vje1u

50. 2-acetonaphthone, 99%

51. Methyl Beta-naphthylketone

52. Hgy15vje1u

53. 1-(naphthalenyl)-ethanone

54. Ec 202-216-2

55. 1-(2-naphthyl)ethanone #

56. Beta -methyl Naphthyl Ketone

57. Beta -naphthyl Methyl Ketone

58. Dsstox_cid_21389

59. Dsstox_rid_79711

60. Dsstox_gsid_41389

61. Methyl Beta -naphthyl Ketone

62. Schembl43058

63. 1-(2-naphthalenyl)-ethanone

64. 1-(naphthalen-3-yl)ethanone

65. 4-07-00-01294 (beilstein Handbook Reference)

66. Beta.-acetylnaphthalene

67. Wln: L66j Cv1

68. Acetonaphthone (mixed Isomers)

69. 2-acetonaphthone [inci]

70. Chembl3183700

71. Dtxsid2041389

72. Nsc7658

73. Zinc967335

74. Amy38256

75. Cs-b1305

76. Hy-y1819

77. Beta.-naphthyl Methyl Ketone

78. Einecs 215-594-9

79. Tox21_302186

80. Stk370453

81. 2-acetonaphthone, Analytical Standard

82. Akos000119679

83. Cas-93-08-3

84. S12359

85. Ncgc00257541-01

86. Ac-26572

87. As-14446

88. Methyl Beta-naphthyl Ketone [fcc]

89. A0053

90. Ft-0610939

91. Methyl 2-naphthyl Ketone 2-acetylnaphthalene

92. Methyl .beta.-naphthyl Ketone [fhfi]

93. Methyl Beta-naphthyl Ketone, >=99%, Fcc, Fg

94. A844438

95. Ac-907/25014303

96. W-100256

97. Q27123397

98. F1995-0259

99. Z966690466

2.4 Create Date

2005-03-26

3 Chemical and Physical Properties

Molecular Formula	C₁₂H₁₀O
Molecular Weight	170.21 g/mol
XLogP3	3.2
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	1
Exact Mass	170.073164938 g/mol
Monoisotopic Mass	170.073164938 g/mol
Topological Polar Surface Area	17.1 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	197
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

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