Coumarin 343 X carboxylic acid

Chemical Properties

Boiling point	761.5±60.0 °C(Predicted)
Density	1.35±0.1 g/cm3(Predicted)
solubility	Well soluble in DMF, DMSO, moderately soluble in DCM, DCE, EtOAc, insoluble in diethyl ether.
pka	4.74±0.10(Predicted)
Appearance	yellow crystals
InChI	InChI=1S/C22H26N2O5/c25-18(26)8-2-1-3-9-23-21(27)17-13-15-12-14-6-4-10-24-11-5-7-16(19(14)24)20(15)29-22(17)28/h12-13H,1-11H2,(H,23,27)(H,25,26)
InChIKey	HCUGYFCWVUOZRK-UHFFFAOYSA-N
SMILES	C(O)(=O)CCCCCNC(C1=CC2=CC3=C4C(=C2OC1=O)CCCN4CCC3)=O

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