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Pirenoxine Structure

Pirenoxine

Chemical Properties

Melting point 247-248°C
Boiling point 699.7±55.0 °C(Predicted)
Density  1.70±0.1 g/cm3(Predicted)
storage temp.  -20°C Freezer
solubility  Aqueous Base (Slightly)
form  Solid
pka 2.63±0.20(Predicted)
color  Very Dark Red to Very Dark Brown
InChI InChI=1S/C16H8N2O5/c19-9-5-8(16(21)22)18-14-10(20)6-12-15(13(9)14)17-7-3-1-2-4-11(7)23-12/h1-6H,(H,18,19)(H,21,22)
InChIKey OKPNYGAWTYOBFZ-UHFFFAOYSA-N
SMILES C12=C(O)C=C(C(O)=O)N=C1C(=O)C=C1C2=NC2=C(C=CC=C2)O1
CAS DataBase Reference 1043-21-6(CAS DataBase Reference)

Usage And Synthesis

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