Keyword(s): Human Metabolites
Molecule Category Free-form
EPA CompTox DTXSID90325638

Structure

InChI Key FJLHLDBEZKTSOK-UHFFFAOYSA-N
Smiles CCN(C)C=O
InChI
InChI=1S/C4H9NO/c1-3-5(2)4-6/h4H,3H2,1-2H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C4H9N1O1
Molecular Weight 87.07
AlogP 0.09
Hydrogen Bond Acceptor 1.0
Number of Rotational Bond 2.0
Polar Surface Area 20.31
Heavy Atoms 6.0

Cross References

Resources Reference
CAS NUMBER 28860-25-5
NORMAN SUSDAT
PubChem 350667
ChemSpider 311341.0