Keyword(s): Human Metabolites
Molecule Category Free-form
UNII 983R6RCP6F
EPA CompTox DTXSID2060834

Structure

InChI Key JNTOKFNBDFMTIV-UHFFFAOYSA-N
Smiles CCCO[N+](=O)[O-]
InChI
InChI=1S/C3H7NO3/c1-2-3-7-4(5)6/h2-3H2,1H3

Physicochemical Descriptors

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

Cross References

Resources Reference
CAS NUMBER 627-13-4
NORMAN SUSDAT
FDA SRS 983R6RCP6F
PubChem 12307
ChemSpider 11804.0