Keyword(s): Human Metabolites
Molecule Category Free-form
EPA CompTox DTXSID10179539

Structure

InChI Key ALBSWLMUHHZLLR-UHFFFAOYSA-N
Smiles COC(=O)C[N+](=O)[O-]
InChI
InChI=1S/C3H5NO4/c1-8-3(5)2-4(6)7/h2H2,1H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C3H5N1O4
Molecular Weight 119.02
AlogP -0.56
Hydrogen Bond Acceptor 4.0
Number of Rotational Bond 2.0
Polar Surface Area 69.44
Heavy Atoms 8.0

Cross References

Resources Reference
CAS NUMBER 2483-57-0
NORMAN SUSDAT
PubChem 17206
ChemSpider 16287.0