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

Structure

InChI Key UWZDUHTYIUMENV-UHFFFAOYSA-N
Smiles OCC(O)COC1=CC=C(OC)C=C1
InChI
InChI=1/C10H14O4/c1-13-9-2-4-10(5-3-9)14-7-8(12)6-11/h2-5,8,11-12H,6-7H2,1H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C10H14O4
Molecular Weight 198.09
AlogP 0.43
Hydrogen Bond Acceptor 4.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 5.0
Polar Surface Area 58.92
Heavy Atoms 14.0

Cross References

Resources Reference
CAS NUMBER 17131-52-1
NORMAN SUSDAT
PubChem 28301