| CAS Number | 2138228-39-2 |
| Catalog Number | AG01EK4T |
| Chemical Name | sodium 5-ethyl-4H-1,2,4-triazole-3-carboxylate |
| IUPAC Name | sodium;5-ethyl-1H-1,2,4-triazole-3-carboxylate |
| InChI | InChI=1S/C5H7N3O2.Na/c1-2-3-6-4(5(9)10)8-7-3;/h2H2,1H3,(H,9,10)(H,6,7,8);/q;+1/p-1 |
| InChI Key | FWZUREOPVMGEPP-UHFFFAOYSA-M |
| MDL Number | MFCD31558641 |
| Molecular Formula | C5H6N3NaO2 |
| Molecular Weight | 163.1098 |
| SMILES | [Na+].CCC1NC(C([O-])=O)=NN=1 |
| Synonyms | sodium 5-ethyl-4H-1,2,4-triazole-3-carboxylate,
2138228-39-2,
|
| Complexity | 144 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 163.036g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 163.112g/mol |
| Monoisotopic Mass | 163.036g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 81.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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