Keyword(s): Human Metabolites
Molecule Category Free-form
UNII 96WE5040JH
EPA CompTox DTXSID80216642

Structure

InChI Key NYXHSRNBKJIQQG-UHFFFAOYSA-N
Smiles CNC(=O)OC
InChI
InChI=1S/C3H7NO2/c1-4-3(5)6-2/h1-2H3,(H,4,5)

Physicochemical Descriptors

Property Name Value
Molecular Formula C3H7N1O2
Molecular Weight 89.05
AlogP 0.18
Hydrogen Bond Acceptor 2.0
Hydrogen Bond Donor 1.0
Polar Surface Area 41.82
Heavy Atoms 6.0

Cross References

Resources Reference
CAS NUMBER 6642-30-4
NORMAN SUSDAT
FDA SRS 96WE5040JH
PubChem 81151
ChemSpider 73217.0