CAS 3900-45-6

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Also known as: 3900-45-6, 1-(6-methoxynaphthalen-2-yl)ethanone, 6'-methoxy-2'-acetonaphthone, 1-(6-methoxy-2-naphthyl)ethanone, 6-methoxy-2-acetylnaphthalene, Ethanone, 1-(6-methoxy-2-naphthalenyl)-

Molecular Formula

C₁₃H₁₂O₂

Molecular Weight

200.23 g/mol

InChI Key

GGWCZBGAIGGTDA-UHFFFAOYSA-N

FDA UNII

61VBH3537C

1 2D Structure

CAS 3900-45-6

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

1-(6-methoxynaphthalen-2-yl)ethanone

2.1.2 InChI

InChI=1S/C13H12O2/c1-9(14)10-3-4-12-8-13(15-2)6-5-11(12)7-10/h3-8H,1-2H3

2.1.3 InChI Key

GGWCZBGAIGGTDA-UHFFFAOYSA-N

2.1.4 Canonical SMILES

CC(=O)C1=CC2=C(C=C1)C=C(C=C2)OC

2.2 Other Identifiers

2.2.1 UNII

61VBH3537C

2.3 Synonyms

2.3.1 Depositor-Supplied Synonyms

1. 3900-45-6

2. 1-(6-methoxynaphthalen-2-yl)ethanone

3. 6'-methoxy-2'-acetonaphthone

4. 1-(6-methoxy-2-naphthyl)ethanone

5. 6-methoxy-2-acetylnaphthalene

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

7. Nsc 105564

8. Mfcd00021643

9. Naproxen Related Compound L

10. 6'-methoxy-2'-acetonaphthone (naproxen Impurity L)

11. Acetylnerolin

12. 61vbh3537c

13. 1-(6-methoxy-2-naphthalenyl)ethanone

14. Nsc-105564

15. 1-(6-methoxy-2-naphthyl)-1-ethanone

16. 1-(6-methoxynaphthalen-2-yl)ethan-1-one

17. 1-(6-methoxynaphthalen-2-yl)ethanone (acetylnerolin)

18. 2'-acetonaphthone, 6'-methoxy- (6ci,7ci,8ci); 1-(2-methoxynaphthalen-6-yl)ethanone

19. 1-(6-methoxy-2-naphthyl)ethan-1-one

20. Unii-61vbh3537c

21. Naproxen Impurity L

22. Einecs 223-453-8

23. Nsc105564

24. Naproxen Ep Impurity L

25. Ec 223-453-8

26. Nciopen2_002197

27. 2-acetyl-6-methoxynapthalene

28. 6-methoxy-2-acetonaphthalene

29. Schembl246511

30. Dtxsid60192278

31. 6-methyoxy-2-acetonaphthone,(s)

32. Zinc164714

33. Bcp27069

34. Str07278

35. Ac1237

36. Stl183262

37. 1-(6-methoxy-2naphthyl)-1-ethanone

38. 1-(6-methoxy-2-naphthyl)ethanone #

39. 6'-methoxy-2'-acetonaphthone, 98%

40. Akos000119504

41. Cs-w019877

42. Fs-3053

43. 1-(6-methoxy-naphthalen-2-yl)-ethanone

44. Ac-23635

45. Naproxen Impurity L [ep Impurity]

46. Sy014453

47. 6-methoxy-2-naphthyl Methyl Ketone

48. Db-020337

49. Db-038124

50. Am20060253

51. Ft-0621181

52. Naproxen Related Compound L [usp-rs]

53. 1-(2-methoxynaphthalen-6-yl)ethanone

54. Naproxen Sodium Impurity L [ep Impurity]

55. 900a456

56. Ae-641/00011040

57. W-106460

58. Q27263377

59. 2-acetyl-6-methoxynaphthalene 100 Microg/ml In Acetonitrile

60. Naproxen Impurity L, European Pharmacopoeia (ep) Reference Standard

61. Naproxen Related Compound L, United States Pharmacopeia (usp) Reference Standard

62. 1-(6-methoxy-2-naphthalenyl)ethanone; 6-methoxy-2-naphthyl Methyl Ketone; 6'-methoxy-2'-acetonaphthone; 2-acetyl-6-methoxynaphthalene; 6-acetyl-2-methoxynaphthalene

2.4 Create Date

2005-03-26

3 Chemical and Physical Properties

Molecular Formula	C₁₃H₁₂O₂
Molecular Weight	200.23 g/mol
XLogP3	3.2
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	2
Exact Mass	200.083729621 g/mol
Monoisotopic Mass	200.083729621 g/mol
Topological Polar Surface Area	26.3 Å²
Heavy Atom Count	15
Formal Charge	0
Complexity	237
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