Keyword(s): Human Metabolites
Molecule Category Free-form
UNII EK1L6XWI56
EPA CompTox DTXSID5024182

Structure

InChI Key GEGLCBTXYBXOJA-UHFFFAOYSA-N
Smiles COC(C)O
InChI
InChI=1S/C3H8O2/c1-3(4)5-2/h3-4H,1-2H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C3H8O2
Molecular Weight 76.05
AlogP -0.03
Hydrogen Bond Acceptor 2.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 1.0
Polar Surface Area 29.46
Heavy Atoms 5.0

Cross References

Resources Reference
CAS NUMBER 109-86-4
NORMAN SUSDAT
FDA SRS EK1L6XWI56