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:	62
	Name:	4-(chloromethyl)-5-hydroxy-2(5H)-furanone
	Description:
	Labels:
	CAS:	125974-06-3
	InChi Code:	InChI=1S/C5H5ClO3/c6-2-3-1-4(7)9-5(3)8/h1,5,8H,2H2

Properties

AMES: Ames test mutagenicity class

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