Keyword(s): Human Metabolites
Molecule Category Free-form
UNII UPE48E4UJ4
EPA CompTox DTXSID5061908

Structure

InChI Key GAPFWGOSHOCNBM-UHFFFAOYSA-N
Smiles CC(C)O[N+](=O)[O-]
InChI
InChI=1S/C3H7NO3/c1-3(2)7-4(5)6/h3H,1-2H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C3H7N1O3
Molecular Weight 105.04
AlogP 0.6
Hydrogen Bond Acceptor 3.0
Number of Rotational Bond 2.0
Polar Surface Area 52.37
Heavy Atoms 7.0

Cross References

Resources Reference
CAS NUMBER 1712-64-7
NORMAN SUSDAT
FDA SRS UPE48E4UJ4
PubChem 15575
ChemSpider 14818.0