Kynurenic acid Structure

Kynurenic acid

Chemical Properties

Melting point 275 °C (dec.)(lit.)
Boiling point 324.41°C (rough estimate)
Density  1.3175 (rough estimate)
refractive index  1.5400 (estimate)
storage temp.  Sealed in dry,Room Temperature
solubility  DMSO : 9 mg/mL (47.58 mM; Need ultrasonic and warming)
form  Off-white to tan powder.
pka 1.08±0.30(Predicted)
color  White to Gray to Brown
Water Solubility  8.92g/L(100 ºC)
Merck  14,5327
BRN  147451
InChI 1S/C10H7NO3/c12-9-5-8(10(13)14)11-7-4-2-1-3-6(7)9/h1-5H,(H,11,12)(H,13,14)
InChIKey HCZHHEIFKROPDY-UHFFFAOYSA-N
SMILES OC(=O)c1cc(O)c2ccccc2n1
CAS DataBase Reference 492-27-3(CAS DataBase Reference)
EWG's Food Scores 1
FDA UNII H030S2S85J
EPA Substance Registry System 2-Quinolinecarboxylic acid, 4-hydroxy- (492-27-3)
UNSPSC Code 41116107
NACRES NA.77

Safety

Symbol(GHS) Exclamation Mark (GHS07)
Signal wordWarning
Hazard statements H315-H319-H335
Precautionary statements P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
Hazard Codes  Xi
Risk Statements  36/37/38
Safety Statements  26-36
WGK Germany  3
RTECS  UZ9300000
HS Code  2933.49.7000
Storage Class 11 - Combustible Solids
NFPA 704:
1
2 0

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