| CAS Number | 2089277-38-1 |
| Catalog Number | AG01DW5W |
| Chemical Name | sodium 5H,6H,7H,8H-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylate |
| IUPAC Name | sodium;5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylate |
| InChI | InChI=1S/C7H9N3O2.Na/c11-7(12)5-2-1-3-10-6(5)8-4-9-10;/h4-5H,1-3H2,(H,11,12);/q;+1/p-1 |
| InChI Key | ADCKCROBOYTOBY-UHFFFAOYSA-M |
| MDL Number | MFCD30724320 |
| Molecular Formula | C7H8N3NaO2 |
| Molecular Weight | 189.1471 |
| SMILES | [Na+].[O-]C(C1C2N(N=CN=2)CCC1)=O |
| Synonyms | sodium 5H,6H,7H,8H-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylate,
Z2798559786,
2089277-38-1,
|
| Complexity | 202 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 189.051g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 189.15g/mol |
| Monoisotopic Mass | 189.051g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 70.8A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
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