CAS 2107-69-9

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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

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 Formula	C₁₁H₁₂O₃
Molecular Weight	192.21 g/mol
XLogP3	1.6
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Exact Mass	192.078644241 g/mol
Monoisotopic Mass	192.078644241 g/mol
Topological Polar Surface Area	35.5 Å²
Heavy Atom Count	14
Formal Charge	0
Complexity	227
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