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:	108
	Name:	5-nitro-2-furanacrylic acid, isobutyl ester
	Description:
	Labels:
	CAS:	91134-58-6
	InChi Code:	InChI=1S/C11H13NO5/c1-8(2)7-16-11(13)6-4-9-3-5-10(17-9)12(14)15/h3-6,8H,7H2,1-2H3/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)