CAS 150726-89-9

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Also known as: 150726-89-9, Dimethyl 2-methoxyphenoxymalonate, Dimethyl 2-(2-methoxyphenoxy)propanedioate, Mfcd06797652, Propanedioic acid, (2-methoxyphenoxy)-, dimethyl ester, (2-methoxyphenoxy)-propanedioic acid dimethyl ester

Molecular Formula

C₁₂H₁₄O₆

Molecular Weight

254.24 g/mol

InChI Key

SBUXKADXTZOBJV-UHFFFAOYSA-N

1 2D Structure

CAS 150726-89-9

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. Dimethyl 2-(2-methoxyphenoxy)propanedioate

4. Mfcd06797652

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

6. (2-methoxyphenoxy)-propanedioic Acid Dimethyl Ester

7. Schembl628822

8. Dtxsid80514170

9. Dimethyl (o-methoxyphenoxy)malonate

10. Dimethyl-(o-methoxyphenoxy)malonate

11. Act08727

12. Bcp19459

13. Cs-d1420

14. Dimethyl (2-methoxyphenoxy)malonate

15. Dimethyl-(2-methoxyphenoxy)malonate

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

17. Zinc22058103

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

19. Akos015851940

20. Dimethyl (2-methoxyphenoxy)propanedioate

21. Ac-26985

22. Ds-14101

23. Sy021326

24. Db-063866

25. Ft-0659625

26. 726m899

27. J-520348

2.3 Create Date

2007-02-08

3 Chemical and Physical Properties

Molecular Formula	C₁₂H₁₄O₆
Molecular Weight	254.24 g/mol
XLogP3	1.9
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	7
Exact Mass	254.07903816 g/mol
Monoisotopic Mass	254.07903816 g/mol
Topological Polar Surface Area	71.1 Å²
Heavy Atom Count	18
Formal Charge	0
Complexity	274
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