Structure

InChI Key SONHXMAHPHADTF-UHFFFAOYSA-M
Smiles [Na+].CC(=C)C(=O)[O-]
InChI
InChI=1/C4H6O2.Na/c1-3(2)4(5)6;/h1H2,2H3,(H,5,6);/q;+1/p-1

Physicochemical Descriptors

Property Name Value
Molecular Formula C4H5NaO2
Molecular Weight 108.02
AlogP -3.68
Hydrogen Bond Acceptor 2.0
Number of Rotational Bond 1.0
Polar Surface Area 40.13
Heavy Atoms 7.0

Cross References

Resources Reference
CAS NUMBER 5536-61-8
NORMAN SUSDAT
FDA SRS SU3SU355NB