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:	84
	Name:	(Z)-2-chloro-3-(dichloromethyl)-4-hydroxybut-2-enoic acid
	Description:
	Labels:
	CAS:	126572-78-9
	InChi Code:	InChI=1S/C5H5Cl3O3/c6-3(5(10)11)2(1-9)4(7)8/h4,9H,1H2,(H,10,11)/b3-2-

Properties

AMES: Ames test mutagenicity class

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