Keyword(s): Human Metabolites
Molecule Category Free-form

Structure

InChI Key IKHGUXGNUITLKF-MZCSYVLQSA-N
Smiles [2H]C(=O)C([2H])([2H])[2H]
InChI
InChI=1S/C2H4O/c1-2-3/h2H,1H3/i1D3,2D

Physicochemical Descriptors

Property Name Value
Molecular Formula C2H4O1
Molecular Weight 48.05
AlogP 0.21
Hydrogen Bond Acceptor 1.0
Number of Rotational Bond 1.0
Polar Surface Area 17.07
Heavy Atoms 3.0

Cross References

Resources Reference
CAS NUMBER 1632-89-9
NORMAN SUSDAT