Keyword(s): Human Metabolites
Molecule Category Free-form
UNII 5N0U5TUC9Z
EPA CompTox DTXSID9025455

Structure

InChI Key OWFXIOWLTKNBAP-UHFFFAOYSA-N
Smiles CC(C)CCON=O
InChI
InChI=1S/C5H11NO2/c1-5(2)3-4-8-6-7/h5H,3-4H2,1-2H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C5H11N1O2
Molecular Weight 117.08
AlogP 1.73
Hydrogen Bond Acceptor 3.0
Number of Rotational Bond 4.0
Polar Surface Area 38.66
Heavy Atoms 8.0

Cross References

Resources Reference
CAS NUMBER 110-46-3
NORMAN SUSDAT
FDA SRS 5N0U5TUC9Z
PubChem 8053
ChemSpider 7762.0