Keyword(s): Human Metabolites
Molecule Category Free-form
EPA CompTox DTXSID60888563

Structure

InChI Key GSUBXIVOZXWGKF-UHFFFAOYSA-N
Smiles O=CC1CCOC1
InChI
InChI=1S/C5H8O2/c6-3-5-1-2-7-4-5/h3,5H,1-2,4H2

Physicochemical Descriptors

Property Name Value
Molecular Formula C5H8O2
Molecular Weight 100.05
AlogP 0.22
Hydrogen Bond Acceptor 2.0
Number of Rotational Bond 1.0
Polar Surface Area 26.3
Heavy Atoms 7.0

Cross References

Resources Reference
CAS NUMBER 79710-86-4
NORMAN SUSDAT
PubChem 157568
ChemSpider 138659.0