| CAS Number | 2439-02-3 |
| Catalog Number | AG00C4HX |
| Chemical Name | 4-Hydroxyquinoline-2-carboxylicacidsodiumsalt |
| IUPAC Name | sodium;4-oxo-1H-quinoline-2-carboxylate |
| InChI | InChI=1S/C10H7NO3.Na/c12-9-5-8(10(13)14)11-7-4-2-1-3-6(7)9;/h1-5H,(H,11,12)(H,13,14);/q;+1/p-1 |
| InChI Key | RCAZGXKUQDXSSK-UHFFFAOYSA-M |
| MDL Number | MFCD12195841 |
| Molecular Formula | C10H6NNaO3 |
| Molecular Weight | 211.1493 |
| SMILES | O=C(C1=NC2=CC=CC=C2C(O)=C1)[O-].[Na+] |
| Synonyms | Kynurenic Acid Sodium,
Kynurenic acid sodium salt,
2439-02-3,
Sodium kynurenate,
BN0801,
AKOS024457753,
4-Hydroxyquinoline-2-carboxylic acid sodium salt,
|
| Complexity | 314 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 211.025g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 211.152g/mol |
| Monoisotopic Mass | 211.025g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 69.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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