| CAS Number | 1011405-01-8 |
| Catalog Number | AG01EHSB |
| Chemical Name | potassium 2-(1H-1,3-benzodiazol-1-yl)acetate |
| IUPAC Name | potassium;2-(benzimidazol-1-yl)acetate |
| InChI | InChI=1S/C9H8N2O2.K/c12-9(13)5-11-6-10-7-3-1-2-4-8(7)11;/h1-4,6H,5H2,(H,12,13);/q;+1/p-1 |
| InChI Key | RAELREWAAVBWPM-UHFFFAOYSA-M |
| MDL Number | MFCD03968089 |
| Molecular Formula | C9H7KN2O2 |
| Molecular Weight | 214.2624 |
| SMILES | [K+].[O-]C(CN1C2=C(C=CC=C2)N=C1)=O |
| Synonyms | AKOS001041090,
potassium 2-(1H-1,3-benzodiazol-1-yl)acetate,
1011405-01-8,
|
| Complexity | 213 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 214.014g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 214.265g/mol |
| Monoisotopic Mass | 214.014g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 58A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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