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2D Structure
Also known as: 941-98-0, 1-acetonaphthone, 1-acetylnaphthalene, Methyl 1-naphthyl ketone, 1-acetonaphthalene, Ethanone, 1-(1-naphthalenyl)-
Molecular Formula
C12H10O
Molecular Weight
170.21  g/mol
InChI Key
QQLIGMASAVJVON-UHFFFAOYSA-N
FDA UNII
U44R403XVS

1 2D Structure

2D Structure

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
1-naphthalen-1-ylethanone
2.1.2 InChI
InChI=1S/C12H10O/c1-9(13)11-8-4-6-10-5-2-3-7-12(10)11/h2-8H,1H3
2.1.3 InChI Key
QQLIGMASAVJVON-UHFFFAOYSA-N
2.1.4 Canonical SMILES
CC(=O)C1=CC=CC2=CC=CC=C21
2.2 Other Identifiers
2.2.1 UNII
U44R403XVS
2.3 Synonyms
2.3.1 MeSH Synonyms

1. 1-acetonaphthone

2. 1-acetylnaphthalene

2.3.2 Depositor-Supplied Synonyms

1. 941-98-0

2. 1-acetonaphthone

3. 1-acetylnaphthalene

4. Methyl 1-naphthyl Ketone

5. 1-acetonaphthalene

6. Ethanone, 1-(1-naphthalenyl)-

7. 1-(naphthalen-1-yl)ethanone

8. 1-(1-naphthalenyl)ethanone

9. 1-naphthyl Methyl Ketone

10. 1-naphthalen-1-ylethanone

11. Acetylnaphthalene

12. 1-(naphthalen-1-yl)ethan-1-one

13. Nsc 7659

14. .alpha.-acetonaphthone

15. .alpha.-acetylnaphthalene

16. Mfcd00004013

17. 1-naphthalen-1-yl-ethanone

18. .alpha.-naphthyl Methyl Ketone

19. Methyl .alpha.-naphthyl Ketone

20. U44r403xvs

21. Nsc-7659

22. Alpha-acetonaphthone

23. Alpha-naphthyl Methyl Ketone

24. Alpha-acetylnaphthalene

25. 1-(1-naphthyl)ethanone

26. Methyl Alpha-naphthyl Ketone

27. 1`-acetonaphthone

28. Einecs 213-384-1

29. Brn 1100618

30. Unii-u44r403xvs

31. Ai3-00673

32. 1-acetonaphtone

33. Acetyl Naphthalene

34. 1'-acetonaphtone

35. Methylnaphthylketone

36. 1\'-acetonaphthone

37. 1-acetonaphthone, 97%

38. Liquid U-80

39. Alpha-methyl Naphthyl Ketone

40. 1-(1-naphthyl)ethanone #

41. Schembl50651

42. Ghl.pd_mitscher_leg0.724

43. 1-(naphthalen-4-yl)ethanone

44. 4-07-00-01292 (beilstein Handbook Reference)

45. .alpha.-methyl Naphthyl Ketone

46. 1-acetonaphthone [inci]

47. Dtxsid4052635

48. Monomethylnaphthalene Formaldehyde

49. Amy4147

50. Nsc7659

51. N-methoxy-n-methylfurancorboxamide

52. Str04053

53. Zinc1688258

54. Stl183335

55. 1-acetonaphthone, Analytical Standard

56. Akos000118730

57. Cs-w020048

58. Fs-3189

59. Sy013630

60. 1-acetonaphthone, Purum, >=96.0% (gc)

61. A0052

62. Ft-0608121

63. D70015

64. A844867

65. W-100207

66. Q27290663

67. F0001-2262

68. Z1262395934

2.4 Create Date
2005-03-26
3 Chemical and Physical Properties
Molecular Weight 170.21 g/mol
Molecular Formula C12H10O
XLogP32.9
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count1
Exact Mass170.073164938 g/mol
Monoisotopic Mass170.073164938 g/mol
Topological Polar Surface Area17.1 Ų
Heavy Atom Count13
Formal Charge0
Complexity197
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1