Keyword(s): Human Metabolites
Molecule Category Free-form
UNII MXE9F638CE
EPA CompTox DTXSID10883487

Structure

InChI Key BTDQXGUEVVTAMD-UHFFFAOYSA-N
Smiles O=C(OCCO)N
InChI
InChI=1/C3H7NO3/c4-3(6)7-2-1-5/h5H,1-2H2,(H2,4,6)

Physicochemical Descriptors

Property Name Value
Molecular Formula C3H7NO3
Molecular Weight 105.04
AlogP -0.51
Hydrogen Bond Acceptor 3.0
Hydrogen Bond Donor 3.0
Number of Rotational Bond 2.0
Polar Surface Area 73.54
Heavy Atoms 7.0

Cross References

Resources Reference
CAS NUMBER 5395-01-7
NORMAN SUSDAT
FDA SRS MXE9F638CE
PubChem 21492