Keyword(s): Human Metabolites
Molecule Category Free-form
UNII RCG03A51MO
EPA CompTox DTXSID50211543

Structure

InChI Key HWJHZLJIIWOTGZ-UHFFFAOYSA-N
Smiles CC(=O)NCO
InChI
InChI=1S/C3H7NO2/c1-3(6)4-2-5/h5H,2H2,1H3,(H,4,6)

Physicochemical Descriptors

Property Name Value
Molecular Formula C3H7N1O2
Molecular Weight 89.05
AlogP -0.09
Hydrogen Bond Acceptor 2.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 1.0
Polar Surface Area 52.82
Heavy Atoms 6.0

Cross References

Resources Reference
CAS NUMBER 625-51-4
NORMAN SUSDAT
FDA SRS RCG03A51MO
PubChem 69365
ChemSpider 62574.0