Keyword(s): Human Metabolites
Molecule Category Free-form
UNII E1ZT886LR5
EPA CompTox DTXSID0060806

Structure

InChI Key IDNUEBSJWINEMI-UHFFFAOYSA-N
Smiles CCO[N+](=O)[O-]
InChI
InChI=1S/C2H5NO3/c1-2-6-3(4)5/h2H2,1H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C2H5N1O3
Molecular Weight 91.03
AlogP 0.21
Hydrogen Bond Acceptor 3.0
Number of Rotational Bond 2.0
Polar Surface Area 52.37
Heavy Atoms 6.0

Cross References

Resources Reference
CAS NUMBER 625-58-1
NORMAN SUSDAT
FDA SRS E1ZT886LR5
PubChem 12259
ChemSpider 11756.0