Keyword(s): Human Metabolites
Molecule Category Free-form
UNII 9DKH5L679Z
EPA CompTox DTXSID0060488

Structure

InChI Key AIMREYQYBFBEGQ-UHFFFAOYSA-N
Smiles CC(C)(C)[N+](=O)[O-]
InChI
InChI=1S/C4H9NO2/c1-4(2,3)5(6)7/h1-3H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C4H9N1O2
Molecular Weight 103.06
AlogP 1.06
Hydrogen Bond Acceptor 2.0
Polar Surface Area 43.14
Heavy Atoms 7.0

Cross References

Resources Reference
CAS NUMBER 594-70-7
NORMAN SUSDAT
FDA SRS 9DKH5L679Z
PubChem 11672
ChemSpider 11182.0