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2D Structure
Also known as: Dtxsid80427236, Refchem:1058569, Dtxcid60378070, 55408-10-1, Ethyl tetrazole-5-carboxylate, Ethyl 1h-tetrazole-5-carboxylate
Molecular Formula
C4H6N4O2
Molecular Weight
142.12  g/mol
InChI Key
JBEHAOGLPHSQSL-UHFFFAOYSA-N

1 2D Structure

2D Structure

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
ethyl 2H-tetrazole-5-carboxylate
2.1.2 InChI
InChI=1S/C4H6N4O2/c1-2-10-4(9)3-5-7-8-6-3/h2H2,1H3,(H,5,6,7,8)
2.1.3 InChI Key
JBEHAOGLPHSQSL-UHFFFAOYSA-N
2.2 Synonyms
2.2.1 Depositor-Supplied Synonyms

1. Dtxsid80427236

2. Refchem:1058569

3. Dtxcid60378070

4. 55408-10-1

5. Ethyl Tetrazole-5-carboxylate

6. Ethyl 1h-tetrazole-5-carboxylate

7. Ethyl 2h-tetrazole-5-carboxylate

8. 1h-tetrazole-5-carboxylic Acid Ethyl Ester

9. Mfcd00243017

10. Ethyl 1h-1,2,3,4-tetrazole-5-carboxylate

11. Ethyl1h-tetrazole-5-carboxylate

12. Ethyl-1h-tetrazole-5-carboxylate

13. 5-ethoxycarbonyltetrazole

14. Ethyl Tetrazol-5-carboxylate

15. 5-ethoxycarbonyl-1h-tetrazole

16. Schembl1563950

17. Schembl2424211

18. Schembl3597132

19. Schembl27770039

20. Jbehaoglphsqsl-uhfffaoysa-n

21. Dtxsid301363684

22. Akos005265064

23. Akos016344443

24. Ac-7605

25. Fe45419

26. As-14749

27. Sy104920

28. Db-007462

29. 1h-tetrazolyl-1-carboxylic Acid Ethyl Ester

30. E1432

31. St50823772

32. 1-ethoxy-1-(5h-tetrazol-5-ylidene)methanol

33. En300-90227

34. Ethyl 1h-1,2,3,4-tetraazole-5-carboxylate

35. D70656

36. 408e101

37. F317273

38. Z1198152908

39. 1h-tetrazole-5-carboxylic Acid, Ethyl Ester; Tetrazole-5-carboxylic Acid, Ethyl Ester;

40. 1027136-03-3

2.3 Create Date
2006-07-29
3 Chemical and Physical Properties
Molecular Weight 142.12 g/mol
Molecular Formula C4H6N4O2
XLogP30
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count3
Exact Mass Da
Monoisotopic Mass Da
Topological Polar Surface Area80.8
Heavy Atom Count10
Formal Charge0
Complexity128
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1