CAS 21732-17-2

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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

CAS 21732-17-2

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 Formula	C₃H₄N₄O₂
Molecular Weight	128.09 g/mol
XLogP3	-0.7
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	2
Exact Mass	g/mol
Monoisotopic Mass	g/mol
Topological Polar Surface Area	80.9
Heavy Atom Count	9
Formal Charge	0
Complexity	116
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

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