Keyword(s): Human Metabolites
Molecule Category Free-form
EPA CompTox DTXSID10885966

Structure

InChI Key HWYJZXYVLPKDLM-UHFFFAOYSA-N
Smiles O=CC(C(=O)OC)C
InChI
InChI=1/C5H8O3/c1-4(3-6)5(7)8-2/h3-4H,1-2H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C5H8O3
Molecular Weight 116.05
AlogP -0.01
Hydrogen Bond Acceptor 3.0
Number of Rotational Bond 2.0
Polar Surface Area 43.37
Heavy Atoms 8.0

Cross References

Resources Reference
CAS NUMBER 51673-64-4
NORMAN SUSDAT
PubChem 103507