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

Structure

InChI Key INJVHPRSHKTTBD-ARJAWSKDSA-N
Smiles O=C(OCCOC)C=CC(=O)OCCOC
InChI
InChI=1/C10H16O6/c1-13-5-7-15-9(11)3-4-10(12)16-8-6-14-2/h3-4H,5-8H2,1-2H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C10H16O6
Molecular Weight 232.09
AlogP -0.08
Hydrogen Bond Acceptor 6.0
Number of Rotational Bond 8.0
Polar Surface Area 71.06
Heavy Atoms 16.0

Cross References

Resources Reference
CAS NUMBER 10232-93-6
NORMAN SUSDAT
PubChem 5462730