Keyword(s): Human Metabolites
Molecule Category Free-form
UNII ZNB4KB53CG
EPA CompTox DTXSID40169382

Structure

InChI Key OKZIFGAAWSUMHS-UHFFFAOYSA-N
Smiles CCOC(=O)c1cc(OC)cc(OC)c1
InChI
InChI=1S/C11H14O4/c1-4-15-11(12)8-5-9(13-2)7-10(6-8)14-3/h5-7H,4H2,1-3H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C11H14O4
Molecular Weight 210.09
AlogP 1.88
Hydrogen Bond Acceptor 4.0
Number of Rotational Bond 4.0
Polar Surface Area 44.76
Heavy Atoms 15.0

Cross References

Resources Reference
CAS NUMBER 17275-82-0
NORMAN SUSDAT
FDA SRS ZNB4KB53CG
PubChem 87026
ChemSpider 78498.0