Keyword(s): Human Metabolites
Molecule Category Free-form
UNII 7FX481V180
EPA CompTox DTXSID20206724

Structure

InChI Key ONWPLBKWMAUFGZ-UHFFFAOYSA-N
Smiles COC(=O)c1c(OC(=O)C)cccc1
InChI
InChI=1S/C10H10O4/c1-7(11)14-9-6-4-3-5-8(9)10(12)13-2/h3-6H,1-2H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C10H10O4
Molecular Weight 194.06
AlogP 1.4
Hydrogen Bond Acceptor 4.0
Number of Rotational Bond 2.0
Polar Surface Area 52.6
Heavy Atoms 14.0

Cross References

Resources Reference
CAS NUMBER 580-02-9
NORMAN SUSDAT
FDA SRS 7FX481V180
PubChem 68484
ChemSpider 61759.0