Keyword(s): Human Metabolites
Molecule Category Free-form
UNII WT1OKZ795I
EPA CompTox DTXSID2065339

Structure

InChI Key MNQOPPDTVHYCEZ-UHFFFAOYSA-N
Smiles OCNC=O
InChI
InChI=1S/C2H5NO2/c4-1-3-2-5/h1,5H,2H2,(H,3,4)

Physicochemical Descriptors

Property Name Value
Molecular Formula C2H5N1O2
Molecular Weight 75.03
AlogP -0.48
Hydrogen Bond Acceptor 2.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 1.0
Polar Surface Area 52.82
Heavy Atoms 5.0

Cross References

Resources Reference
CAS NUMBER 13052-19-2
NORMAN SUSDAT
FDA SRS WT1OKZ795I
PubChem 83086
ChemSpider 74956.0