Keyword(s): Human Metabolites
Molecule Category Free-form
UNII 741GDM4803
EPA CompTox DTXSID4021472

Structure

InChI Key CAUBWLYZCDDYEF-UHFFFAOYSA-N
Smiles CCOC(=O)N(C)N=O
InChI
InChI=1S/C4H8N2O3/c1-3-9-4(7)6(2)5-8/h3H2,1-2H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C4H8N2O3
Molecular Weight 132.05
AlogP 0.76
Hydrogen Bond Acceptor 4.0
Number of Rotational Bond 2.0
Polar Surface Area 58.97
Heavy Atoms 9.0

Cross References

Resources Reference
CAS NUMBER 615-53-2
NORMAN SUSDAT
FDA SRS 741GDM4803
PubChem 12001
ChemSpider 11506.0