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:	29
	Name:	2-chloro-3,3-dimethylacrolein
	Description:
	Labels:
	CAS:	7364-09-2
	InChi Code:	InChI=1S/C5H7ClO/c1-4(2)5(6)3-7/h3H,1-2H3

Properties

AMES: Ames test mutagenicity class

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