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FINISHED DOSAGE FORMULATIONS

4 FDF Dossiers, 4 Canada

4 FDF Dossiers
4 Canada

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Chemistry

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Also known as: Bis(2-methoxyphenyl) carbonate, 553-17-3, Duotal, Tussophob, Guaiacolcarbonate, Bis-o-methoxyphenyl carbonate

Molecular Formula

C₁₅H₁₄O₅

Molecular Weight

274.27 g/mol

InChI Key

ORUJFMPWKPVXLZ-UHFFFAOYSA-N

FDA UNII

Q71XPQ6R29

1 2D Structure

Bis(2-Methoxyphenyl) Carbonate

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

bis(2-methoxyphenyl) carbonate

2.1.2 InChI

InChI=1S/C15H14O5/c1-17-11-7-3-5-9-13(11)19-15(16)20-14-10-6-4-8-12(14)18-2/h3-10H,1-2H3

2.1.3 InChI Key

ORUJFMPWKPVXLZ-UHFFFAOYSA-N

2.1.4 Canonical SMILES

COC1=CC=CC=C1OC(=O)OC2=CC=CC=C2OC

2.2 Other Identifiers

2.2.1 UNII

Q71XPQ6R29

2.3 Synonyms

2.3.1 Depositor-Supplied Synonyms

1. Bis(2-methoxyphenyl) Carbonate

2. 553-17-3

3. Duotal

4. Tussophob

5. Guaiacolcarbonate

6. Bis-o-methoxyphenyl Carbonate

7. Guaiacyl Carbonate

8. Di-o-methoxyphenyl Carbonate

9. Carbonic Acid Bis(2-methoxyphenyl) Ester

10. Guaiacol Carbonic Acid Neutral Ester

11. Phenol, 2-methoxy-, Carbonate (2:1)

12. Carbonic Acid, Bis(o-methoxyphenyl) Ester

13. Nsc 37138

14. Mls002637719

15. Q71xpq6r29

16. Nsc-3798

17. Nsc-37138

18. Ncgc00164512-01

19. Ncgc00164512-02

20. Phenol, Carbonate (2:1)

21. Dsstox_cid_26405

22. Dsstox_rid_81585

23. Dsstox_gsid_46405

24. Carbonic Acid Bis[2-methoxyphenyl] Ester

25. Cas-553-17-3

26. Diguaiacyl Carbonate

27. Guaiacol Carbonate [nf]

28. Unii-q71xpq6r29

29. Bis(2-methoxyphenyl)carbonate

30. Guajacolcarbonat

31. Einecs 209-034-2

32. Carbonic Acid Guiacol Ether

33. Schembl21541

34. Zinc350

35. Guaiacol Carbonate [mi]

36. Chembl1898058

37. Dtxsid3046405

38. Nsc3798

39. Chebi:135131

40. Hms3078e13

41. Cs-b1684

42. Guaiacol Carbonate [who-dd]

43. Hy-y1876

44. Nsc37138

45. Tox21_112147

46. Mfcd00025723

47. Akos005068004

48. Tox21_112147_1

49. Bis(o-methoxyphenyl)ester Carbonic Acid

50. Carbonic Acid Bis(2-methyoxyphenyl) Ester

51. Cs-16937

52. Smr001547241

53. Carbonic Acid Bis-(2-methoxy-phenyl) Ester

54. Db-052713

55. Ft-0626816

56. C13264

57. 553g173

58. A830588

59. Q27287071

2.4 Create Date

2005-03-26

3 Chemical and Physical Properties

Molecular Formula	C₁₅H₁₄O₅
Molecular Weight	274.27 g/mol
XLogP3	3.3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	6
Exact Mass	274.08412354 g/mol
Monoisotopic Mass	274.08412354 g/mol
Topological Polar Surface Area	54 Å²
Heavy Atom Count	20
Formal Charge	0
Complexity	279
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