CAS 1078-19-9

Chemistry

Chemistry

Also known as: 1078-19-9, 6-methoxy-3,4-dihydronaphthalen-1(2h)-one, 6-methoxytetralone, 6-methoxy-alpha-tetralone, 6-methoxy-3,4-dihydro-2h-naphthalen-1-one, 1(2h)-naphthalenone, 3,4-dihydro-6-methoxy-

Molecular Formula

C₁₁H₁₂O₂

Molecular Weight

176.21 g/mol

InChI Key

MNALUTYMBUBKNX-UHFFFAOYSA-N

FDA UNII

IA52U30635

1 2D Structure

CAS 1078-19-9

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

6-methoxy-3,4-dihydro-2H-naphthalen-1-one

2.1.2 InChI

InChI=1S/C11H12O2/c1-13-9-5-6-10-8(7-9)3-2-4-11(10)12/h5-7H,2-4H2,1H3

2.1.3 InChI Key

MNALUTYMBUBKNX-UHFFFAOYSA-N

2.1.4 Canonical SMILES

COC1=CC2=C(C=C1)C(=O)CCC2

2.2 Other Identifiers

2.2.1 UNII

IA52U30635

2.3 Synonyms

2.3.1 Depositor-Supplied Synonyms

1. 1078-19-9

2. 6-methoxy-3,4-dihydronaphthalen-1(2h)-one

3. 6-methoxytetralone

4. 6-methoxy-alpha-tetralone

5. 6-methoxy-3,4-dihydro-2h-naphthalen-1-one

6. 1(2h)-naphthalenone, 3,4-dihydro-6-methoxy-

7. 6-methoxy-1,2,3,4-tetrahydronaphthalen-1-one

8. 6-methoxy-3,4-dihydro-1(2h)-naphthalenone

9. 6-methoxy-.alpha.-tetralone

10. 6-methoxytetralin-1-one

11. 3,4-dihydro-6-methoxy-1(2h)-naphthalenone

12. Mfcd00001695

13. Mls002608330

14. Nsc-41700

15. Ia52u30635

16. 6-methoxy-1,2,3,4-tetrahydro-1-naphthalenone

17. 3,4-dihydro-6-methoxy-1(2h)-naphthalenone; 1,2,3,4-tetrahydro-6-methoxy-1-naphthalenone; 1-oxo-1,2,3,4-tetrahydro-6-methoxynaphthalene; 6-methoxy-1,2,3,4-tetrahydronaphthalen-1-one;

18. 6-methoxy-?1-?tetralone

19. 6-methoxy-a-tetralone

20. Unii-ia52u30635

21. Nsc41700

22. 6-methoxy Tetralone

23. 6-methoxy-tetralone

24. Einecs 214-078-0

25. Nsc 41700

26. 6-methoxy-1tetralone

27. 6-methoxy 1-tetralone

28. 6-methoxy- 1-tetralone

29. Ec 214-078-0

30. Dsstox_cid_31406

31. Dsstox_rid_97292

32. Dsstox_gsid_57617

33. Schembl115638

34. 6-mt

35. 6-methoxy-1-tetralone, 99%

36. Chembl1900603

37. Dtxsid6057617

38. Amy6102

39. Hms3085i19

40. Act03095

41. Cs-d1691

42. Zinc3850328

43. Tox21_113778

44. Ac-575

45. Stk801788

46. Akos000120808

47. 3,4-dihydro-6-methoxy-1-napthalenone

48. Mb00111

49. Ps-5771

50. 3,4-dihydro-6-methoxy-1-naphthalenone

51. Ncgc00253652-01

52. Smr001527079

53. Sy001734

54. 6-methoxy-.alpha.-tetralone [mi]

55. Cas-1078-19-9

56. 1(2h)-naphthalenone,4-dihydro-6-methoxy-

57. Db-040785

58. 3,4-dihydro-6-methoxynaphthalen-1(2h)-on

59. 6-methoxy-3,4-dihydro-2h-naphthalin-1-on

60. Ft-0621180

61. M0787

62. 6-methoxy-3,4-dihydronaphthalen-1 (2h)-one

63. 78m199

64. 1-oxo-1,2,3,4-tetrahydro-6-methoxynaphthalene

65. 6-methoxy-1-oxo-1,2,3,4-tetrahydronaphthalene

66. J-002018

67. J-518836

68. 6-methoxy-3,4-dihydronaphthalene-1(2h)-one

69. Q27280629

70. 1,2,3,4-tetrahydro-6-methoxy-1-naphthalenone

71. F0001-0157

2.4 Create Date

2005-03-26

3 Chemical and Physical Properties

Molecular Formula	C₁₁H₁₂O₂
Molecular Weight	176.21 g/mol
XLogP3	2
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Exact Mass	176.083729621 g/mol
Monoisotopic Mass	176.083729621 g/mol
Topological Polar Surface Area	26.3 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	200
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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