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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

CAS 2107-69-9
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

BUILDING BLOCK

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