Papa, E.; Gramatica, P. QSPR as a support for the EU REACH regulation and rational design of environmentally safer chemicals: PBT identification from molecular structure. Green Chem. 2010, 12, 836-843.

Compound

	ID:	46
	Name:	2-propenoic acid
	Description:
	Labels:	Training
	CAS:	79-10-7
	InChi Code:	InChI=1S/C3H4O2/c1-2-3(4)5/h2H,1H2,(H,4,5)

Properties

PBT_Index: PBT Index i

Value	Source or prediction
-1.88	experimental value
-1.57	Eq1: Full Model (Training set)

Links to External Resources

Link	Resource description
DTXSID0039229	US EPA CompTox Dashboard