Keyword(s): Human Metabolites
Molecule Category Free-form
UNII 4MA8Z6Y28L
EPA CompTox DTXSID20868947

Structure

InChI Key XDPCNPCKDGQBAN-UHFFFAOYSA-N
Smiles OC1CCOC1
InChI
InChI=1S/C4H8O2/c5-4-1-2-6-3-4/h4-5H,1-3H2

Physicochemical Descriptors

Property Name Value
Molecular Formula C4H8O2
Molecular Weight 88.05
AlogP -0.23
Hydrogen Bond Acceptor 2.0
Hydrogen Bond Donor 1.0
Polar Surface Area 29.46
Heavy Atoms 6.0

Cross References

Resources Reference
CAS NUMBER 453-20-3
NORMAN SUSDAT
FDA SRS 4MA8Z6Y28L
PubChem 9960
ChemSpider 9566.0