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CAS 2107-69-9
Also known as: 2107-69-9, 5,6-dimethoxy-2,3-dihydro-1h-inden-1-one, 5,6-dimethoxyindan-1-one, 1h-inden-1-one, 2,3-dihydro-5,6-dimethoxy-, 5,6-dimethoxy-indan-1-one, 5,6-dimethoxy-2,3-dihydroinden-1-one
Molecular Formula
C11H12O3
Molecular Weight
192.21  g/mol
InChI Key
IHMQOBPGHZFGLC-UHFFFAOYSA-N
FDA UNII
F805RZI8GO

1 2D Structure

CAS 2107-69-9

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
5,6-dimethoxy-2,3-dihydroinden-1-one
2.1.2 InChI
InChI=1S/C11H12O3/c1-13-10-5-7-3-4-9(12)8(7)6-11(10)14-2/h5-6H,3-4H2,1-2H3
2.1.3 InChI Key
IHMQOBPGHZFGLC-UHFFFAOYSA-N
2.1.4 Canonical SMILES
COC1=C(C=C2C(=C1)CCC2=O)OC
2.2 Other Identifiers
2.2.1 UNII
F805RZI8GO
2.3 Synonyms
2.3.1 MeSH Synonyms

1. 5,6-dimethoxyindan-1-one

2.3.2 Depositor-Supplied Synonyms

1. 2107-69-9

2. 5,6-dimethoxy-2,3-dihydro-1h-inden-1-one

3. 5,6-dimethoxyindan-1-one

4. 1h-inden-1-one, 2,3-dihydro-5,6-dimethoxy-

5. 5,6-dimethoxy-indan-1-one

6. 5,6-dimethoxy-2,3-dihydroinden-1-one

7. 5,6-dimethoxyindanone

8. 5,6-dimethoxy Indanone

9. Mfcd00003790

10. F805rzi8go

11. Chembl611356

12. Nsc-401450

13. Nsc401450

14. 5,6 Dimethoxy Indanone

15. 5,6dimethoxyindan-1-one

16. 5, 6 Dimethoxy Indanone

17. Unii-f805rzi8go

18. 5,6 Dimethoxy-1-indanone

19. 5,6 Dimethoxyindan-1-one

20. Dsstox_cid_31469

21. Dsstox_rid_97354

22. Dsstox_gsid_57680

23. Schembl354177

24. 1-indanone, 5,6-dimethoxy-

25. 1-indanone, 5,6-dimethoxy-,

26. Dtxsid9057680

27. 5,6-dimethoxy-1-indanone-[d6]

28. Am845

29. Hms1665m05

30. Zinc164394

31. 5,6-dimethoxy-1-indanone, 97%

32. 5,6-dimethoxyindane-1-one

33. Act08215

34. Bcp08893

35. Cs-d1431

36. Einecs 218-287-8

37. Tox21_113806

38. Bbl012470

39. Bdbm50304446

40. Stk741969

41. 5,6-dimethoxy-1-indanone-[13c3]

42. Akos000279828

43. Ac-1195

44. Gf-0120

45. Nsc 401450

46. Ncgc00253682-01

47. Sy013700

48. Cas-2107-69-9

49. Db-025380

50. A4570

51. D3313

52. Ft-0619825

53. 07d699

54. 5,6-dimethoxy-1-indanone (donepezil Impurity)

55. 5,6-bis(methyloxy)-2,3-dihydro-1h-inden-1-one

56. Brd-k48252171-001-01-7

57. Q27277789

58. Donepezil Hydrochloride Impurity B [ep Impurity]

2.4 Create Date
2005-03-26
3 Chemical and Physical Properties
Molecular Weight 192.21 g/mol
Molecular Formula C11H12O3
XLogP31.6
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Exact Mass192.078644241 g/mol
Monoisotopic Mass192.078644241 g/mol
Topological Polar Surface Area35.5 Ų
Heavy Atom Count14
Formal Charge0
Complexity227
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1
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