| CAS Number | 1955499-26-9 |
| Catalog Number | AG01B21H |
| Chemical Name | Potassium 5-((methylsulfonyl)methyl)-1,2,4-oxadiazole-3-carboxylate |
| IUPAC Name | potassium;5-(methylsulfonylmethyl)-1,2,4-oxadiazole-3-carboxylate |
| InChI | InChI=1S/C5H6N2O5S.K/c1-13(10,11)2-3-6-4(5(8)9)7-12-3;/h2H2,1H3,(H,8,9);/q;+1/p-1 |
| InChI Key | QCLBLHVXNNDLKO-UHFFFAOYSA-M |
| MDL Number | MFCD29991546 |
| Molecular Formula | C5H5KN2O5S |
| Molecular Weight | 244.2669 |
| SMILES | [K+].CS(CC1ON=C(C([O-])=O)N=1)(=O)=O |
| Synonyms | potassium 5-(methanesulfonylmethyl)-1,2,4-oxadiazole-3-carboxylate,
1955499-26-9,
Z2509351074,
|
| Complexity | 300 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 243.956g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 7 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 244.262g/mol |
| Monoisotopic Mass | 243.956g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 122A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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