CAS 4739-94-0

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16 Related Intermediates

Chemistry

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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

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 Formula	C₁₁H₁₂O₄
Molecular Weight	208.21 g/mol
XLogP3	2.1
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	3
Exact Mass	g/mol
Monoisotopic Mass	g/mol
Topological Polar Surface Area	44.8
Heavy Atom Count	15
Formal Charge	0
Complexity	229
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1