Keyword(s): Human Metabolites
Molecule Category Free-form
UNII L27Q94JV5G
EPA CompTox DTXSID20166556

Structure

InChI Key ZFEJGMDGENZPMS-UHFFFAOYSA-N
Smiles CN(CCO)C=O
InChI
InChI=1S/C4H9NO2/c1-5(4-7)2-3-6/h4,6H,2-3H2,1H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C4H9N1O2
Molecular Weight 103.06
AlogP -0.93
Hydrogen Bond Acceptor 2.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 3.0
Polar Surface Area 40.54
Heavy Atoms 7.0

Cross References

Resources Reference
CAS NUMBER 1590-50-7
NORMAN SUSDAT
FDA SRS L27Q94JV5G
PubChem 74120
ChemSpider 66733.0