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Also known as: 4739-94-0, Ethyl 2,3-dihydrobenzo[1,4]dioxine-2-carboxylate, Ethyl 1,4-benzodioxane-2-carboxylate, Ethyl 2,3-dihydro-1,4-benzodioxine-2-carboxylate, 2,3-dihydro-benzo[1,4]dioxine-2-carboxylic acid ethyl ester, Ethyl 2,3-dihydrobenzo[b][1,4]dioxine-2-carboxylate
Molecular Formula
C11H12O4
Molecular Weight
208.21  g/mol
InChI Key
DDIGEMWIKJMEIU-UHFFFAOYSA-N

CAS 4739-94-0
1 2D Structure

CAS 4739-94-0

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
ethyl 2,3-dihydro-1,4-benzodioxine-3-carboxylate
2.1.2 InChI
InChI=1S/C11H12O4/c1-2-13-11(12)10-7-14-8-5-3-4-6-9(8)15-10/h3-6,10H,2,7H2,1H3
2.1.3 InChI Key
DDIGEMWIKJMEIU-UHFFFAOYSA-N
2.1.4 Canonical SMILES
CCOC(=O)C1COC2=CC=CC=C2O1
2.2 Synonyms
2.2.1 MeSH Synonyms

1. Ethyl 1,4-benzodioxane-2-carboxylate

2.2.2 Depositor-Supplied Synonyms

1. 4739-94-0

2. Ethyl 2,3-dihydrobenzo[1,4]dioxine-2-carboxylate

3. Ethyl 1,4-benzodioxane-2-carboxylate

4. Ethyl 2,3-dihydro-1,4-benzodioxine-2-carboxylate

5. 2,3-dihydro-benzo[1,4]dioxine-2-carboxylic Acid Ethyl Ester

6. Ethyl 2,3-dihydrobenzo[b][1,4]dioxine-2-carboxylate

7. Ethyl 2,3-dihydro-1,4-benzodioxin-2-carboxylate

8. Ethyl 2,3-dihydro-1,4-benzodioxine-3-carboxylate

9. 1,4-benzodioxin-2-carboxylic Acid, 2,3-dihydro-, Ethyl Ester

10. Mfcd01099774

11. Ethyl1,4-benzodioxan-2-carboxylate

12. 1,4-benzodioxan-2-carboxylic Acid Ethyl Ester

13. Ai3-26022

14. Schembl612174

15. 1,4-benzodioxin-2,3-dihydro-2-carboxylic Acid Ethyl Ester

16. 2,3-dihydro-1,4-benzodioxin-2-carboxylic Acid Ethyl Ester

17. Dtxsid80963821

18. Ddigemwikjmeiu-uhfffaoysa-n

19. Akos000116644

20. Akos016843285

21. As-5301

22. Ds-2455

23. Sy014493

24. Db-070802

25. Ethyl 1,4-benzodioxan-2-carboxylate, 97%

26. Am20050071

27. Cs-0151626

28. E0902

29. En300-04010

30. 1,4-benzodioxan-2-carboxylic Acid, Ethyl Ester

31. 1,4-benzodioxane-2-carboxylic Acid Ethyl Ester

32. Ethyl2,3-dihydrobenzo[1,4]dioxine-2-carboxylate

33. J-521294

34. 2,3-dihydro-benzo[1,4]dioxine-2-carboxylic Acidethyl Ester

35. 2,3-dihydro-[1,4]benzodioxine-2-carboxylic Acid Ethyl Ester

2.3 Create Date
2005-08-08
3 Chemical and Physical Properties
Molecular Weight 208.21 g/mol
Molecular Formula C11H12O4
XLogP32.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Exact Mass g/mol
Monoisotopic Mass g/mol
Topological Polar Surface Area44.8
Heavy Atom Count15
Formal Charge0
Complexity229
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1

BUILDING BLOCK

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