Keyword(s): Human Metabolites
Molecule Category Free-form
UNII 1F58T0S3Q7
EPA CompTox DTXSID401312296

Structure

InChI Key VEZIKIAGFYZTCI-VMPITWQZSA-N
Smiles O=C(OC)C=CC1=CC=C(OC)C=C1
InChI
InChI=1/C11H12O3/c1-13-10-6-3-9(4-7-10)5-8-11(12)14-2/h3-8H,1-2H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C11H12O3
Molecular Weight 192.08
AlogP 1.88
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 3901-07-3
NORMAN SUSDAT
FDA SRS 1F58T0S3Q7
PubChem 641297