Keyword(s): Human Metabolites
Molecule Category Free-form
UNII 7SX8B7W4RD
EPA CompTox DTXSID9060817

Structure

InChI Key FTKASJMIPSSXBP-UHFFFAOYSA-N
Smiles CCOC(=O)C[N+](=O)[O-]
InChI
InChI=1S/C4H7NO4/c1-2-9-4(6)3-5(7)8/h2-3H2,1H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C4H7N1O4
Molecular Weight 133.04
AlogP -0.17
Hydrogen Bond Acceptor 4.0
Number of Rotational Bond 3.0
Polar Surface Area 69.44
Heavy Atoms 9.0

Cross References

Resources Reference
CAS NUMBER 626-35-7
NORMAN SUSDAT
FDA SRS 7SX8B7W4RD
PubChem 69379
ChemSpider 62587.0