Keyword(s): Human Metabolites
Molecule Category Free-form
UNII C1Y9T3V4P4
EPA CompTox DTXSID20187246

Structure

InChI Key GOXNUYXRIQJIEF-UHFFFAOYSA-N
Smiles OCCN1CCOC1=O
InChI
InChI=1S/C5H9NO3/c7-3-1-6-2-4-9-5(6)8/h7H,1-4H2

Physicochemical Descriptors

Property Name Value
Molecular Formula C5H9N1O3
Molecular Weight 131.06
AlogP -0.57
Hydrogen Bond Acceptor 3.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 2.0
Polar Surface Area 49.77
Heavy Atoms 9.0

Cross References

Resources Reference
CAS NUMBER 3356-88-5
NORMAN SUSDAT
FDA SRS C1Y9T3V4P4
PubChem 76887
ChemSpider 69338.0