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:	114
	Name:	3-chloro-4-methyl-5-hydroxy-2(5H)-furanone
	Description:
	Labels:
	CAS:	112309-61-2
	InChi Code:	InChI=1S/C5H5ClO3/c1-2-3(6)5(8)9-4(2)7/h4,7H,1H3

Properties

AMES: Ames test mutagenicity class

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