| CAS Number | 2044713-66-6 |
| Catalog Number | AG01BXM5 |
| Chemical Name | sodium 2-(pyrazin-2-yl)propanoate |
| IUPAC Name | sodium;2-pyrazin-2-ylpropanoate |
| InChI | InChI=1S/C7H8N2O2.Na/c1-5(7(10)11)6-4-8-2-3-9-6;/h2-5H,1H3,(H,10,11);/q;+1/p-1 |
| InChI Key | URDYATHKUIYYQD-UHFFFAOYSA-M |
| MDL Number | MFCD30487870 |
| Molecular Formula | C7H7N2NaO2 |
| Molecular Weight | 174.1325 |
| SMILES | CC(C1=NC=CN=C1)C([O-])=O.[Na+] |
| Synonyms | sodium 2-(pyrazin-2-yl)propanoate,
2044713-66-6,
|
| Complexity | 154 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 174.041g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 174.135g/mol |
| Monoisotopic Mass | 174.041g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 65.9A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
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