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:	166
	Name:	5-nitro-2-furanacrylic acid, 1,1-dimethylethyl ester
	Description:
	Labels:
	CAS:	97461-39-7
	InChi Code:	InChI=1S/C11H13NO5/c1-11(2,3)17-10(13)7-5-8-4-6-9(16-8)12(14)15/h4-7H,1-3H3/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)