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:	111
	Name:	5-nitro-2-furanacrylic acid, butyl ester
	Description:
	Labels:
	CAS:	90147-19-6
	InChi Code:	InChI=1S/C11H13NO5/c1-2-3-8-16-11(13)7-5-9-4-6-10(17-9)12(14)15/h4-7H,2-3,8H2,1H3/b7-5+

Properties

AMES: Ames test mutagenicity class

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