CHEMICAL AND PHYSICAL PROPERTIES
| Physical Description | Yellow solid; [Merck Index] Yellow needles; [Alfa Aesar MSDS] |
|---|---|
| Melting Point | 280 °C |
| Solubility | >28.4 [ug/mL] (The mean of the results at pH 7.4) |
| Collision Cross Section | 137 Ų [M+H]+ [CCS Type: DT, Method: single field calibrated with Agilent tune mix (Agilent)] |
| Chemical Classes | Other Uses -> Biochemical Research |
COMPUTED DESCRIPTORS
| Molecular Weight | 189.17 g/mol |
|---|---|
| XLogP3 | 1.3 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 1 |
| Exact Mass | 189.042593085 g/mol |
| Monoisotopic Mass | 189.042593085 g/mol |
| Topological Polar Surface Area | 66.4 Ų |
| Heavy Atom Count | 14 |
| Formal Charge | 0 |
| Complexity | 309 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |
PRODUCT INTRODUCTION
description
Kynurenic acid is a quinolinemonocarboxylic acid that is quinoline-2-carboxylic acid substituted by a hydroxy group at C-4. It has a role as a G-protein-coupled receptor agonist, a NMDA receptor antagonist, a nicotinic antagonist, a neuroprotective agent, a human metabolite and a Saccharomyces cerevisiae metabolite. It is a monohydroxyquinoline and a quinolinemonocarboxylic acid. It is a conjugate acid of a kynurenate.