Keyword(s): Human Metabolites
Molecule Category Free-form
EPA CompTox DTXSID60937540

Structure

InChI Key KVUIJQRUDVLWAI-UHFFFAOYSA-N
Smiles O=C1OC(=O)C(N1)CO
InChI
InChI=1/C4H5NO4/c6-1-2-3(7)9-4(8)5-2/h2,6H,1H2,(H,5,8)

Physicochemical Descriptors

Property Name Value
Molecular Formula C4H5NO4
Molecular Weight 131.02
AlogP -1.18
Hydrogen Bond Acceptor 4.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 1.0
Polar Surface Area 79.12
Heavy Atoms 9.0

Cross References

Resources Reference
CAS NUMBER 16874-72-9
NORMAN SUSDAT
PubChem 86082