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AE-641/04187024 is available in 2107 mg

Compound details
MDL #:		MFCD00007387
Formula:		C10 H11 N O4
Weight:		209.2
Chiral info:		Not available
Name:		4-{4-nitrophenyl}butanoic acid
SMILES:		OC(=O)CCCc1ccc(cc1)[N+](=O)[O-]
InChI^TM:		InChI=1S/C10H11NO4/c12-10(13)3-1-2-8-4-6-9(7-5-8)11(14)15/h4-7H,1-3H2,(H,12,13)
InChIKey^TM:		WQMLUHZFRFCQDB-UHFFFAOYSA-N

Chemical properties calculations
LogP:	2.59	H-acceptors: 2
LogS:	-2.94	H-donors: 1
tPSA:	80.44 Å²	Rotatable bonds: 5

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Disclaimer: Predicted physical and biological properties, such as toxicity, mentioned on this website are indicative only and may not be relied upon in any way. Liability for damages of any kind resulting from reliance on these properties is expressly rejected.