Keyword(s): Food Contact Chemicals
Molecule Category Salt-form
EPA CompTox DTXSID5035799

Structure

InChI Key CITBNDNUEPMTFC-UHFFFAOYSA-M
Smiles [Na+].OCNCC(=O)[O-]
InChI
InChI=1S/C3H7NO3/c5-2-4-1-3(6)7/h4-5H,1-2H2,(H,6,7)

Physicochemical Descriptors

Property Name Value
Molecular Formula C3H7N1O3
Molecular Weight 105.04
AlogP -1.39
Hydrogen Bond Acceptor 3.0
Hydrogen Bond Donor 3.0
Number of Rotational Bond 3.0
Polar Surface Area 69.56
Heavy Atoms 7.0

Cross References

Resources Reference
CAS NUMBER 70161-44-3
NORMAN SUSDAT
PubChem 23664641
ChemSpider 8466272.0