Keyword(s): Human Metabolites
Molecule Category Free-form
UNII ULO441649V
EPA CompTox DTXSID10212430

Structure

InChI Key QLDHWVVRQCGZLE-UHFFFAOYSA-N
Smiles CC(=O)C#N
InChI
InChI=1S/C3H3NO/c1-3(5)2-4/h1H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C3H3N1O1
Molecular Weight 69.02
AlogP 0.1
Hydrogen Bond Acceptor 2.0
Polar Surface Area 40.86
Heavy Atoms 5.0

Cross References

Resources Reference
CAS NUMBER 631-57-2
NORMAN SUSDAT
FDA SRS ULO441649V
PubChem 69430
ChemSpider 62638.0