Keyword(s): Human Metabolites
Molecule Category Free-form
UNII SQ8V0P4N89
EPA CompTox DTXSID4062301

Structure

InChI Key VGQXTTSVLMQFHM-UHFFFAOYSA-N
Smiles CC(=O)OO[N+](=O)[O-]
InChI
InChI=1S/C2H3NO5/c1-2(4)7-8-3(5)6/h1H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C2H3N1O5
Molecular Weight 121.0
AlogP -0.33
Hydrogen Bond Acceptor 5.0
Number of Rotational Bond 2.0
Polar Surface Area 78.67
Heavy Atoms 8.0

Cross References

Resources Reference
CAS NUMBER 2278-22-0
NORMAN SUSDAT
FDA SRS SQ8V0P4N89
PubChem 16782
ChemSpider 15907.0