| CAS Number | 1803598-27-7 |
| Catalog Number | AG01BFG0(AGN-PC-0WOSV2) |
| Chemical Name | 2-Pyridineacetic acid, α-methyl-, sodium salt (1:1) |
| IUPAC Name | sodium;2-pyridin-2-ylpropanoate |
| InChI | InChI=1S/C8H9NO2.Na/c1-6(8(10)11)7-4-2-3-5-9-7;/h2-6H,1H3,(H,10,11);/q;+1/p-1 |
| InChI Key | OWSJRIIGONCIIK-UHFFFAOYSA-M |
| MDL Number | MFCD28118584 |
| Molecular Formula | C8H9NNaO2 |
| Molecular Weight | 174.1523 |
| SMILES | [Na].C(C(=O)O)(C)c1ccccn1 |
| Synonyms | sodium 2-(pyridin-2-yl)propanoate,
1803598-27-7,
AKOS026742731,
|
| Complexity | 152 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 173.045g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 173.147g/mol |
| Monoisotopic Mass | 173.045g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 53A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
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