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:	102
	Name:	alpha-cyano-2-furanacrylic acid, methyl ester
	Description:
	Labels:
	CAS:	3695-86-1
	InChi Code:	InChI=1S/C9H7NO3/c1-12-9(11)7(6-10)5-8-3-2-4-13-8/h2-5H,1H3/b7-5+

Properties

AMES: Ames test mutagenicity class

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