MolPort-000-889-192

Synopsis, Chemistry

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Also known as: Ethyl 2-(2-methoxyphenoxy)acetate, 13078-21-2, Ethyl 2-methoxyphenoxyacetate, Acetic acid, (2-methoxyphenoxy)-, ethyl ester, Fj76e63kzh, Einecs 235-977-4

Molecular Formula

C₁₁H₁₄O₄

Molecular Weight

210.23 g/mol

InChI Key

BZCGGCRVJFWCIW-UHFFFAOYSA-N

FDA UNII

FJ76E63KZH

1 2D Structure

MolPort-000-889-192

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

ethyl 2-(2-methoxyphenoxy)acetate

2.1.2 InChI

InChI=1S/C11H14O4/c1-3-14-11(12)8-15-10-7-5-4-6-9(10)13-2/h4-7H,3,8H2,1-2H3

2.1.3 InChI Key

BZCGGCRVJFWCIW-UHFFFAOYSA-N

2.1.4 Canonical SMILES

CCOC(=O)COC1=CC=CC=C1OC

2.2 Other Identifiers

2.2.1 UNII

FJ76E63KZH

2.3 Synonyms

2.3.1 Depositor-Supplied Synonyms

1. Ethyl 2-(2-methoxyphenoxy)acetate

2. 13078-21-2

3. Ethyl 2-methoxyphenoxyacetate

4. Acetic Acid, (2-methoxyphenoxy)-, Ethyl Ester

5. Fj76e63kzh

6. Einecs 235-977-4

7. Ai3-10576

8. Unii-fj76e63kzh

9. Ethyl-2-methoxyphenoxyacetate

10. Schembl5318188

11. Dtxsid40156737

12. Albb-023455

13. Amy18100

14. Cs-d0564

15. Zinc2149930

16. Mfcd00082657

17. Stk399864

18. Akos000308020

19. (2-methoxyphenoxy)acetic Acid Ethyl Este

20. (o-methoxyphenoxy)acetic Acid Ethyl Ester

21. Ds-15465

22. (2-methoxyphenoxy)acetic Acid Ethyl Ester

23. Db-041985

24. 2-(o-methoxyphenoxy)acetic Acid Ethyl Ester

25. E1241

26. Ft-0608885

27. Ft-0625752

28. A806144

29. Acetic Acid, 2-(2-methoxyphenoxy)-, Ethyl Ester

2.4 Create Date

2005-08-08

3 Chemical and Physical Properties

Molecular Formula	C₁₁H₁₄O₄
Molecular Weight	210.23 g/mol
XLogP3	1.7
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	6
Exact Mass	210.08920892 g/mol
Monoisotopic Mass	210.08920892 g/mol
Topological Polar Surface Area	44.8 Å²
Heavy Atom Count	15
Formal Charge	0
Complexity	193
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