Keyword(s): Human Metabolites
Molecule Category Free-form
EPA CompTox DTXSID60993040

Structure

InChI Key UAQIYYDCUSJYRL-UHFFFAOYSA-N
Smiles O=C(OC)C(OC=1C=CC=CC1)(C)C
InChI
InChI=1/C11H14O3/c1-11(2,10(12)13-3)14-9-7-5-4-6-8-9/h4-8H,1-3H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C11H14O3
Molecular Weight 194.09
AlogP 2.02
Hydrogen Bond Acceptor 3.0
Number of Rotational Bond 3.0
Polar Surface Area 35.53
Heavy Atoms 14.0

Cross References

Resources Reference
CAS NUMBER 72278-52-5
NORMAN SUSDAT
PubChem 3018334