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AN-970/40920756 is available in 1481 mg

Compound details
MDL #:		MFCD03081888
Formula:		C13 H11 N O5
Weight:		261.23
Chiral info:		Not available
Name:		dimethyl 3-phenyl-4,5-isoxazoledicarboxylate
SMILES:		COC(=O)c2onc(c1ccccc1)c2(C(=O)OC)
InChI^TM:		InChI=1S/C13H11NO5/c1-17-12(15)9-10(8-6-4-3-5-7-8)14-19-11(9)13(16)18-2/h3-7H,1-2H3
InChIKey^TM:		BMFIBMLGDMNPHC-UHFFFAOYSA-N

Toxicity predictions
Rat Oral LD₅₀:		3470 mg/Kg
Chronic LOAEL:		163 mg/Kg
Developmental Toxicity Potential:		0.95

Chemical properties calculations
LogP:	1.4	H-acceptors: 4
LogS:	-2.3
tPSA:	78.63 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.