Pérez-Garrido, A.; Helguera, A. M.; López, G. C.; Cordeiro, M. N. D. S.; Escudero, A. G. A topological substructural molecular design approach for predicting mutagenesis end-points of α, β-unsaturated carbonyl compounds. Toxicology 2010, 268, 64–77.

Compound

	ID:	20
	Name:	alpha,5-dinitro-2-furanacrylic acid, methyl ester
	Description:
	Labels:
	CAS:	68162-37-8
	InChi Code:	InChI=1S/C8H6N2O7/c1-16-8(11)6(9(12)13)4-5-2-3-7(17-5)10(14)15/h2-4H,1H3/b6-4+

Properties

AMES: Ames test mutagenicity class

Value	Source or prediction
mutagen	experimental value
mutagen	Eq6: Model for α,β-unsaturated carbonyl compounds (Training set)