Keyword(s): Human Metabolites
Molecule Category Free-form
UNII GUW5AW3B4Z
EPA CompTox DTXSID5065982

Structure

InChI Key DILOFCBIBDMHAY-UHFFFAOYSA-N
Smiles COC(=O)Cc1cc(OC)c(OC)cc1
InChI
InChI=1S/C11H14O4/c1-13-9-5-4-8(6-10(9)14-2)7-11(12)15-3/h4-6H,7H2,1-3H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C11H14O4
Molecular Weight 210.09
AlogP 1.42
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 15964-79-1
NORMAN SUSDAT
FDA SRS GUW5AW3B4Z
PubChem 85213
ChemSpider 76848.0