Keyword(s): Human Metabolites
Molecule Category Free-form
UNII 0C17IZ13QV
EPA CompTox DTXSID10963379

Structure

InChI Key RSHIVZARDAPEDE-UHFFFAOYSA-N
Smiles N#CC1OC1
InChI
InChI=1/C3H3NO/c4-1-3-2-5-3/h3H,2H2

Physicochemical Descriptors

Property Name Value
Molecular Formula C3H3NO
Molecular Weight 69.02
AlogP -0.09
Hydrogen Bond Acceptor 2.0
Polar Surface Area 36.32
Heavy Atoms 5.0

Cross References

Resources Reference
CAS NUMBER 4538-51-6
NORMAN SUSDAT
FDA SRS 0C17IZ13QV
PubChem 20662