CAS 888504-28-7

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6 End Use APIs
11 Related Intermediates

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Also known as: 888504-28-7, 5-methyl-1,3,4-oxadiazole-2-carboxylic acid potassium salt, Potassium 5-methyl-[1,3,4]oxadiazole-2-carboxylate, 5-methyl-1,3,4-oxadiazole-2-carboxylic acid, potassium salt, Potassium;5-methyl-1,3,4-oxadiazole-2-carboxylate, Mfcd08060085

Molecular Formula

C₄H₃KN₂O₃

Molecular Weight

166.18 g/mol

InChI Key

BRHMYHXNUGVBCU-UHFFFAOYSA-M

1 2D Structure

CAS 888504-28-7

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

potassium;5-methyl-1,3,4-oxadiazole-2-carboxylate

2.1.2 InChI

InChI=1S/C4H4N2O3.K/c1-2-5-6-3(9-2)4(7)8;/h1H3,(H,7,8);/q;+1/p-1

2.1.3 InChI Key

BRHMYHXNUGVBCU-UHFFFAOYSA-M

2.1.4 Canonical SMILES

CC1=NN=C(O1)C(=O)[O-].[K+]

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 888504-28-7

2. 5-methyl-1,3,4-oxadiazole-2-carboxylic Acid Potassium Salt

3. Potassium 5-methyl-[1,3,4]oxadiazole-2-carboxylate

4. 5-methyl-1,3,4-oxadiazole-2-carboxylic Acid, Potassium Salt

5. Potassium;5-methyl-1,3,4-oxadiazole-2-carboxylate

6. Mfcd08060085

7. 1,3,4-oxadiazole-2-carboxylic Acid, 5-methyl-, Potassium Salt

8. Schembl52283

9. Potassium,5-methyl-1,3,4-oxadiazole-2-carboxylate

10. Amot0361

11. Dtxsid90647544

12. 5-methyl-[1,3,4]oxadiazole-2-carboxylic Acid Potassium Salt

13. Bcp12476

14. Akos006285709

15. Am85947

16. Cs-w000575

17. Pb14509

18. Ac-27019

19. As-70543

20. Sy025650

21. Ft-0671940

22. P2220

23. 1h-imidazole, 4,5-dihydro-2-(2-cholrophenyl)-

24. A842971

25. J-524013

26. Potassium 5-methyl-[1,2,4]-oxadiazole-2-carboxylate

27. Potassium; 5-methyl-[1,3,4]oxadiazole-2-carboxylate

28. F2147-1032

29. Z1741978257

30. 5-methyl-[1,3,4]oxadiazol Carboxylic Acid Potassium Salt

31. 5-methyl-1,3,4-oxadiazole-2-carboxylic Acid Potassium Salt, Aldrichcpr

32. 5-methyl-1,3,4-oxadiazole-2-carboxylic Acid Potassium Salt;potassium 5-methyl-1,3,4-oxadiazole-2-carboxylate

2.3 Create Date

2008-06-26

3 Chemical and Physical Properties

Molecular Formula	C₄H₃KN₂O₃
Molecular Weight	166.18 g/mol
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	1
Exact Mass	165.97807345 g/mol
Monoisotopic Mass	165.97807345 g/mol
Topological Polar Surface Area	79 Å²
Heavy Atom Count	10
Formal Charge	0
Complexity	132
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	2