Keyword(s): Food Contact Chemicals
Molecule Category Salt-form
EPA CompTox DTXSID00987483

Structure

InChI Key SBYZBCPZQKXKBZ-UHFFFAOYSA-N
Smiles [Na+].COC(=O)[C-]=C
InChI
InChI=1S/C4H5O2.Na/c1-3-4(5)6-2;/h1H2,2H3;/q-1;+1

Physicochemical Descriptors

Property Name Value
Molecular Formula C4H5NaO2
Molecular Weight 108.02
AlogP -2.85
Hydrogen Bond Acceptor 2.0
Number of Rotational Bond 1.0
Polar Surface Area 26.3
Heavy Atoms 7.0

Cross References

Resources Reference
CAS NUMBER 68037-46-7
NORMAN SUSDAT
PubChem 23715915