Keyword(s): Human Metabolites
Molecule Category Free-form
UNII LFS2HF6ZYT
EPA CompTox DTXSID20219233

Structure

InChI Key GFJVXXWOPWLRNU-UHFFFAOYSA-N
Smiles C=COC=O
InChI
InChI=1S/C3H4O2/c1-2-5-3-4/h2-3H,1H2

Physicochemical Descriptors

Property Name Value
Molecular Formula C3H4O2
Molecular Weight 72.02
AlogP 0.3
Hydrogen Bond Acceptor 2.0
Number of Rotational Bond 2.0
Polar Surface Area 26.3
Heavy Atoms 5.0

Cross References

Resources Reference
CAS NUMBER 692-45-5
NORMAN SUSDAT
FDA SRS LFS2HF6ZYT
PubChem 222465
ChemSpider 193133.0