Keyword(s): Human Metabolites
Molecule Category Free-form
EPA CompTox DTXSID60888902

Structure

InChI Key JGJDTAFZUXGTQS-UHFFFAOYSA-N
Smiles O=COCCOCCOC=O
InChI
InChI=1S/C6H10O5/c7-5-10-3-1-9-2-4-11-6-8/h5-6H,1-4H2

Physicochemical Descriptors

Property Name Value
Molecular Formula C6H10O5
Molecular Weight 162.05
AlogP -0.65
Hydrogen Bond Acceptor 5.0
Number of Rotational Bond 8.0
Polar Surface Area 61.83
Heavy Atoms 11.0

Cross References

Resources Reference
CAS NUMBER 120570-77-6
NORMAN SUSDAT
PubChem 346287
ChemSpider 307172.0