Keyword(s): Human Metabolites
Molecule Category Free-form
UNII 9J6OR937VR
EPA CompTox DTXSID8060248

Structure

InChI Key DNSISZSEWVHGLH-UHFFFAOYSA-N
Smiles CCCC(=O)N
InChI
InChI=1S/C4H9NO/c1-2-3-4(5)6/h2-3H2,1H3,(H2,5,6)

Physicochemical Descriptors

Property Name Value
Molecular Formula C4H9N1O1
Molecular Weight 87.07
AlogP 1.32
Hydrogen Bond Acceptor 1.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 2.0
Polar Surface Area 44.08
Heavy Atoms 6.0

Cross References

Resources Reference
CAS NUMBER 541-35-5
NORMAN SUSDAT
FDA SRS 9J6OR937VR
PubChem 10927
ChemSpider 10464.0