Structure

InChI Key MLIREBYILWEBDM-UHFFFAOYSA-N
Smiles OC(=O)CC#N
InChI
InChI=1S/C3H3NO2/c4-2-1-3(5)6/h1H2,(H,5,6)

Physicochemical Descriptors

Property Name Value
Molecular Formula C3H3N1O2
Molecular Weight 85.02
AlogP -0.02
Hydrogen Bond Acceptor 2.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 1.0
Polar Surface Area 61.09
Heavy Atoms 6.0

Cross References

Resources Reference
CAS NUMBER 372-09-8
NORMAN SUSDAT
FDA SRS QZT550H2Y9
PubChem 9740
ChemSpider 9357.0