Keyword(s): Human Metabolites
Molecule Category Free-form
UNII 8XOE1JSO29
EPA CompTox DTXSID7020005

Structure

InChI Key DLFVBJFMPXGRIB-UHFFFAOYSA-N
Smiles CC(N)=O
InChI
InChI=1S/C2H5NO/c1-2(3)4/h1H3,(H2,3,4)

Physicochemical Descriptors

Property Name Value
Molecular Formula C2H5N1O1
Molecular Weight 59.04
AlogP 0.54
Hydrogen Bond Acceptor 1.0
Hydrogen Bond Donor 2.0
Polar Surface Area 44.08
Heavy Atoms 4.0

Cross References

Resources Reference
CAS NUMBER 60-35-5
NORMAN SUSDAT
FDA SRS 8XOE1JSO29
PubChem 178
ChemSpider 173.0