| CAS Number | 1156977-76-2 |
| Catalog Number | AG019LM1(AGN-PC-0WORZH) |
| Chemical Name | Potassium (3-oxo[1,2,4]triazolo[4,3-a]pyridin-2(3h)-yl)acetate |
| IUPAC Name | potassium;2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)acetate |
| InChI | InChI=1S/C8H7N3O3.K/c12-7(13)5-11-8(14)10-4-2-1-3-6(10)9-11;/h1-4H,5H2,(H,12,13);/q;+1/p-1 |
| InChI Key | CTMTYCWZAZRBSC-UHFFFAOYSA-M |
| MDL Number | MFCD09971552 |
| Molecular Formula | C8H6KN3O3 |
| Molecular Weight | 231.2498 |
| SMILES | [K+].[O-]C(CN1C(=O)N2C(C=CC=C2)=N1)=O |
| Synonyms | potassium 2-{3-oxo-2H,3H-[1,2,4]triazolo[4,3-a]pyridin-2-yl}acetate,
potassium (3-oxo[1,2,4]triazolo[4,3-a]pyridin-2(3H)-yl)acetate,
1156977-76-2,
AC1Q1TWU,
CTK5I5030,
AKOS009190382,
NE30155,
EN300-31736,
|
| Complexity | 389 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 231.005g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 231.252g/mol |
| Monoisotopic Mass | 231.005g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 76A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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