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:	216
	Name:	5-nitro-2-furanacrylic acid, methyl ester
	Description:
	Labels:
	CAS:	1874-24-4
	InChi Code:	InChI=1S/C8H7NO5/c1-13-8(10)5-3-6-2-4-7(14-6)9(11)12/h2-5H,1H3/b5-3+

Properties

AMES: Ames test mutagenicity class

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