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AK-968/15363502 is available in 3727 mg

Compound details
MDL #:		MFCD01924091
Formula:		C12 H12 N2 O3
Weight:		232.24
Chiral info:		Not available
Name:		3-(3,4-dimethoxyphenyl)-1H-pyrazole-4-carbaldehyde
SMILES:		COc1ccc(cc1(OC))c2n[nH]cc2(C=O)
InChI^TM:		InChI=1S/C12H12N2O3/c1-16-10-4-3-8(5-11(10)17-2)12-9(7-15)6-13-14-12/h3-7H,1-2H3,(H,13,14)
InChIKey^TM:		MVOHBLRFSWSWBD-UHFFFAOYSA-N

Chemical properties calculations
LogP:	1.18	H-acceptors: 3
LogS:	-1.91	H-donors: 1
tPSA:	64.21 Å²	Rotatable bonds: 4

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