Keyword(s): Human Metabolites
Molecule Category Free-form
EPA CompTox DTXSID0066537

Structure

InChI Key VWIIJDNADIEEDB-UHFFFAOYSA-N
Smiles CN1CCOC1=O
InChI
InChI=1S/C4H7NO2/c1-5-2-3-7-4(5)6/h2-3H2,1H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C4H7N1O2
Molecular Weight 101.05
AlogP 0.07
Hydrogen Bond Acceptor 2.0
Polar Surface Area 29.54
Heavy Atoms 7.0

Cross References

Resources Reference
CAS NUMBER 19836-78-3
NORMAN SUSDAT
PubChem 29831
ChemSpider 27718.0