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:	12
	Name:	Neopentyl acrylate
	Description:
	Labels:
	CAS:	4513-36-4
	InChi Code:	InChI=1S/C8H14O2/c1-5-7(9)10-6-8(2,3)4/h5H,1,6H2,2-4H3

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)