Keyword(s): Human Metabolites
Molecule Category Free-form
UNII B02YQ4MIR0
EPA CompTox DTXSID5059379

Structure

InChI Key WUDNUHPRLBTKOJ-UHFFFAOYSA-N
Smiles CCN=C=O
InChI
InChI=1S/C3H5NO/c1-2-4-3-5/h2H2,1H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C3H5N1O1
Molecular Weight 71.04
AlogP 0.34
Hydrogen Bond Acceptor 2.0
Number of Rotational Bond 1.0
Polar Surface Area 29.43
Heavy Atoms 5.0

Cross References

Resources Reference
CAS NUMBER 109-90-0
NORMAN SUSDAT
FDA SRS B02YQ4MIR0
PubChem 8022
ChemSpider 7731.0