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2D Structure
Also known as: 21732-17-2, Tetrazole-1-acetic acid, 2-(tetrazol-1-yl)acetic acid, 1h-tetrazolyl-1-acetic acid, 2-(1h-1,2,3,4-tetrazol-1-yl)acetic acid, Tetrazol-1-yl-acetic acid
Molecular Formula
C3H4N4O2
Molecular Weight
128.09  g/mol
InChI Key
GRWAIJBHBCCLGS-UHFFFAOYSA-N
FDA UNII
0Z73YK18GG

1 2D Structure

2D Structure

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
2-(tetrazol-1-yl)acetic acid
2.1.2 InChI
InChI=1S/C3H4N4O2/c8-3(9)1-7-2-4-5-6-7/h2H,1H2,(H,8,9)
2.1.3 InChI Key
GRWAIJBHBCCLGS-UHFFFAOYSA-N
2.1.4 Canonical SMILES
C1=NN=NN1CC(=O)O
2.2 Other Identifiers
2.2.1 UNII
0Z73YK18GG
2.3 Synonyms
2.3.1 Depositor-Supplied Synonyms

1. 21732-17-2

2. Tetrazole-1-acetic Acid

3. 2-(tetrazol-1-yl)acetic Acid

4. 1h-tetrazolyl-1-acetic Acid

5. 2-(1h-1,2,3,4-tetrazol-1-yl)acetic Acid

6. Tetrazol-1-yl-acetic Acid

7. 1-tetrazolylacetic Acid

8. 2-(1h-tetrazol-1-yl)acetic Acid

9. 1h-tetrazol-1-acetic Acid

10. Tetrazol-1-acetic Acid

11. Tetrazol-1-yl Acetic Acid

12. 0z73yk18gg

13. 1-tetrazoleacetic Acid

14. Mfcd00038813

15. Unii-0z73yk18gg

16. 1h-tetrazol-1-ylacetic Acid

17. Dtxsid9057686

18. Einecs 244-551-7

19. Un0407

20. Tetrazol-1-acetic Acid [un0407] [explosive 1.4c]

21. Ec 244-551-7

22. 1h-1,2,3,4-tetrazole-1-acetic Acid

23. 1-tetrazole Acetic Acid

24. (tetrazol-1-yl)acetic Acid

25. Schembl48965

26. 1-h-tetrazole-1-acetic Acid

27. Chembl3182642

28. Dtxcid0031475

29. 2-(tetrazol-1-yl)-acetic Acid

30. 1h-tetraazol-1-ylacetic Acid #

31. Tox21_113762

32. Bbl016501

33. Stk182600

34. 1,2,3,4-tetrazolyl-1-acetic Acid

35. Akos000120547

36. Ac-1698

37. Un 0407

38. Ncgc00253635-01

39. Bp-10263

40. Ts-00014

41. Cas-21732-17-2

42. Ns00010191

43. T1425

44. En300-20980

45. F14868

46. 2-(1h-1,2,3,4-tetraazol-1-yl) Acetic Acid

47. Ab00990359-01

48. A815634

49. Sr-01000944846

50. Sr-01000944846-1

51. W-107527

52. F2191-0035

53. Z104485714

2.4 Create Date
2005-03-27
3 Chemical and Physical Properties
Molecular Weight 128.09 g/mol
Molecular Formula C3H4N4O2
XLogP3-0.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count2
Exact Mass g/mol
Monoisotopic Mass g/mol
Topological Polar Surface Area80.9
Heavy Atom Count9
Formal Charge0
Complexity116
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1