alpha-Ketokainic acid
(2S,3S,4S)-3-oxalo-4-prop-1-en-2-ylpyrrolidine-2-carboxylic acid
Also Known As: alpha-Ketokainic acid|(2S,3S,4S)-3-oxalo-4-prop-1-en-2-ylpyrrolidine-2-carboxylic acid|(3S,4S)-3-Oxalo-4-(prop-1-en-2-yl)-L-proline|3-Pyrrolidineacetic acid, 2-carboxy-4-(1-methylethenyl)-alpha-oxo-, (2S-(2alpha,3beta,4beta))-
CAS: 75232-58-5
| Molecular Formula | C10H13NO5 |
|---|---|
| Molecular Weight | 227.07938 g/mol |
| LogP | -2.1 |
| Topological Polar Surface Area | 104.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 227.07938 |
| Monoisotopic Mass | 227.07938 |
| Heavy Atoms | 16 |
| Complexity | 362.0 |
Chemical Identifiers
| CAS Number | 75232-58-5 |
|---|---|
| SMILES | CC(=C)[C@H]1CN[C@@H]([C@H]1C(=O)C(=O)O)C(=O)O |
| InChIKey | QSNBRSMXOOFGGD-VQVTYTSYSA-N |
Product Overview
alpha-Ketokainic acid (CAS 75232-58-5), with molecular formula C10H13NO5 and molecular weight 227.07938 g/mol. IUPAC: (2S,3S,4S)-3-oxalo-4-prop-1-en-2-ylpyrrolidine-2-carboxylic acid.
Safety Data Sheet (MSDS / SDS)
View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.
View MSDS →
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