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:	139
	Name:	alpha-methyl-5-nitro-2-furanacrylic acid, methyl ester
	Description:
	Labels:
	CAS:	97461-43-3
	InChi Code:	InChI=1S/C9H9NO5/c1-6(9(11)14-2)5-7-3-4-8(15-7)10(12)13/h3-5H,1-2H3/b6-5+

Properties

AMES: Ames test mutagenicity class

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