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AQ-776/42801146 is available in 976 mg

Compound details
MDL #:		MFCD05863365
Formula:		C14 H14 N O2
Weight:		228.27
Salt Data:		4-CH3C6H4SO3-
Chiral info:		Not available
Name:		4-[(4-formylphenoxy)methyl]-1-methylpyridinium
SMILES:		C[n+]1ccc(cc1)COc2ccc(C=O)cc2
InChI^TM:		InChI=1S/C14H14NO2/c1-15-8-6-13(7-9-15)11-17-14-4-2-12(10-16)3-5-14/h2-10H,11H2,1H3/q+1
InChIKey^TM:		YFALSNBKAJLMLG-UHFFFAOYSA-N

Chemical properties calculations
LogP:	0.34	H-acceptors: 1
LogS:	-1.16
tPSA:	30.18 Å²	Rotatable bonds: 4

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