Keyword(s): Human Metabolites
Molecule Category Free-form
UNII 4F13H2637M
EPA CompTox DTXSID3042211

Structure

InChI Key MFCHWYSOGVAXNC-UHFFFAOYSA-N
Smiles CN(CN=O)C=C
InChI
InChI=1S/C4H8N2O/c1-3-6(2)4-5-7/h3H,1,4H2,2H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C4H8N2O
Molecular Weight 100.06
AlogP 0.79
Hydrogen Bond Acceptor 3.0
Number of Rotational Bond 3.0
Polar Surface Area 32.67
Heavy Atoms 7.0

Cross References

Resources Reference
CAS NUMBER 4549-40-0
NORMAN SUSDAT
FDA SRS 4F13H2637M
PubChem 121232738
ChemSpider 57524974.0