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:	67
	Name:	5-nitro-2-furanacrylic acid, isopropyl ester
	Description:
	Labels:
	CAS:	90147-21-0
	InChi Code:	InChI=1S/C10H11NO5/c1-7(2)15-10(12)6-4-8-3-5-9(16-8)11(13)14/h3-7H,1-2H3/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)