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Overview of Dimethyl 2-(2-Methoxyphenoxy)Malonate

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4CH-014642
PharmaCompass
4CH-014642
Also known as: 150726-89-9, Dimethyl 2-methoxyphenoxymalonate, (2-methoxyphenoxy)-propanedioic acid dimethyl ester, 1,3-dimethyl 2-(2-methoxyphenoxy)propanedioate, Propanedioic acid, (2-methoxyphenoxy)-, dimethyl ester, Acmc-20a15y
Molecular Formula
C12H14O6
Molecular Weight
254.238  g/mol
InChI Key
SBUXKADXTZOBJV-UHFFFAOYSA-N

1 2D Structure

4CH-014642

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
dimethyl 2-(2-methoxyphenoxy)propanedioate
2.1.2 InChI
InChI=1S/C12H14O6/c1-15-8-6-4-5-7-9(8)18-10(11(13)16-2)12(14)17-3/h4-7,10H,1-3H3
2.1.3 InChI Key
SBUXKADXTZOBJV-UHFFFAOYSA-N
2.1.4 Canonical SMILES
COC1=CC=CC=C1OC(C(=O)OC)C(=O)OC
2.2 Synonyms
2.2.1 Depositor-Supplied Synonyms

1. 150726-89-9

2. Dimethyl 2-methoxyphenoxymalonate

3. (2-methoxyphenoxy)-propanedioic Acid Dimethyl Ester

4. 1,3-dimethyl 2-(2-methoxyphenoxy)propanedioate

5. Propanedioic Acid, (2-methoxyphenoxy)-, Dimethyl Ester

6. Acmc-20a15y

7. Schembl628822

8. Ctk3j6665

9. Dtxsid80514170

10. Molport-003-846-899

11. Sbuxkadxtzobjv-uhfffaoysa-n

12. Dimethyl (o-methoxyphenoxy)malonate

13. Dimethyl-(o-methoxyphenoxy)malonate

14. Act08727

15. Cs-d1420

16. Dimethyl (2-methoxyphenoxy)malonate

17. Dimethyl-(2-methoxyphenoxy)malonate

18. Anw-52436

19. Zinc22058103

20. Dimethyl-2-(o-methoxyphenoxy)malonate

21. Akos015851940

22. Dimethyl-2-(2-methoxyphenoxy)malonate

23. Cd-1043

24. Rl01924

25. Rtr-006160

26. Tra0044228

27. Dimethyl (2-methoxyphenoxy)propanedioate

28. Ac-26985

29. Aj-80858

30. Ak-39757

31. Br-39757

32. Cj-17305

33. Ds-14101

34. Sc-53092

35. Sy021326

36. Ab0022432

37. Ax8061388

38. Db-063866

39. Kb-251578

40. St2412825

41. Tr-006160

42. 4ch-014642

43. Ft-0659625

44. W3293

45. S-2370

46. 726m899

47. I14-6121

48. J-520348

49. Propanedioic Acid,2-(2-methoxyphenoxy)-, 1,3-dimethyl Ester

2.3 Create Date
2007-02-08
3 Chemical and Physical Properties
Molecular Weight 254.238 g/mol
Molecular Formula C12H14O6
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count6
Rotatable Bond Count7
Exact Mass254.079 g/mol
Monoisotopic Mass254.079 g/mol
Topological Polar Surface Area71.1 A^2
Heavy Atom Count18
Formal Charge0
Complexity274
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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