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AE-562/11610120 is available in 1412 mg

Compound details
MDL #:		MFCD01143608
Formula:		C9 H8 N2 O7
Weight:		256.17
Chiral info:		Not available
Name:		4-ethoxy-3,5-dinitrobenzoic acid
SMILES:		CCOc1c(cc(cc1[N+](=O)[O-])C(O)=O)[N+](=O)[O-]
InChI^TM:		InChI=1S/C9H8N2O7/c1-2-18-8-6(10(14)15)3-5(9(12)13)4-7(8)11(16)17/h3-4H,2H2,1H3,(H,12,13)
InChIKey^TM:		OMHGUPCRBWWHHN-UHFFFAOYSA-N

Chemical properties calculations
LogP:	2.08	H-acceptors: 2
LogS:	-3.24	H-donors: 1
tPSA:	132.81 Å²	Rotatable bonds: 5

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