Keyword(s): Human Metabolites
Molecule Category Free-form
UNII 2K6KHS1VQ7
EPA CompTox DTXSID50198269

Structure

InChI Key LTXYFELJDAARCU-UHFFFAOYSA-N
Smiles CCOC(=O)NCO
InChI
InChI=1S/C4H9NO3/c1-2-8-4(7)5-3-6/h6H,2-3H2,1H3,(H,5,7)

Physicochemical Descriptors

Property Name Value
Molecular Formula C4H9N1O3
Molecular Weight 119.06
AlogP -0.11
Hydrogen Bond Acceptor 3.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 2.0
Polar Surface Area 62.05
Heavy Atoms 8.0

Cross References

Resources Reference
CAS NUMBER 5027-16-7
NORMAN SUSDAT
FDA SRS 2K6KHS1VQ7
PubChem 21123
ChemSpider 19865.0