CAS 941-98-0

Chemistry, 4 End Use API, 15 Related Intermediates

Manufacturers/Suppliers

4 Suppliers

4 Suppliers

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

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 Formula	C₁₂H₁₀O
Molecular Weight	170.21 g/mol
XLogP3	2.9
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