Keyword(s): Human Metabolites
Molecule Category Free-form
UNII FT9GT286W2
EPA CompTox DTXSID40149902

Structure

InChI Key KYEACNNYFNZCST-UHFFFAOYSA-N
Smiles CN1C(=O)CCC1=O
InChI
InChI=1S/C5H7NO2/c1-6-4(7)2-3-5(6)8/h2-3H2,1H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C5H7N1O2
Molecular Weight 113.05
AlogP -0.23
Hydrogen Bond Acceptor 2.0
Polar Surface Area 37.38
Heavy Atoms 8.0

Cross References

Resources Reference
CAS NUMBER 1121-07-9
NORMAN SUSDAT
FDA SRS FT9GT286W2