Keyword(s): Human Metabolites
Molecule Category Free-form
UNII Z24YWT7Q2R
EPA CompTox DTXSID30239720

Structure

InChI Key GDGGLKMFUADUEH-UHFFFAOYSA-N
Smiles CC(=O)CC(=O)N1CCOC1=O
InChI
InChI=1S/C7H9NO4/c1-5(9)4-6(10)8-2-3-12-7(8)11/h2-4H2,1H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C7H9N1O4
Molecular Weight 171.05
AlogP -0.06
Hydrogen Bond Acceptor 4.0
Number of Rotational Bond 2.0
Polar Surface Area 63.68
Heavy Atoms 12.0

Cross References

Resources Reference
CAS NUMBER 93820-06-5
NORMAN SUSDAT
FDA SRS Z24YWT7Q2R
PubChem 379157
ChemSpider 196425.0