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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

CAS 941-98-0
1 2D Structure

CAS 941-98-0

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

BUILDING BLOCK

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