Keyword(s): Human Metabolites
Molecule Category Free-form

Structure

InChI Key NODMSFUNHCUVST-UHFFFAOYSA-N
Smiles CC(=NO)C(O)=O
InChI
InChI=1S/C3H5NO3/c1-2(4-7)3(5)6/h2H,1H3,(H,5,6)

Physicochemical Descriptors

Property Name Value
Molecular Formula C3H5N1O3
Molecular Weight 103.03
AlogP 0.23
Hydrogen Bond Acceptor 3.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 2.0
Polar Surface Area 66.73
Heavy Atoms 7.0

Cross References

Resources Reference
CAS NUMBER 2211-14-5
NORMAN SUSDAT