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) |