Keyword(s): Human Metabolites
Molecule Category Free-form
EPA CompTox DTXSID60967660

Structure

InChI Key UXMKOLJFXKKWEQ-UHFFFAOYSA-N
Smiles O=C1OC(C=C1)C=2C=CC=CC2
InChI
InChI=1/C10H8O2/c11-10-7-6-9(12-10)8-4-2-1-3-5-8/h1-7,9H

Physicochemical Descriptors

Property Name Value
Molecular Formula C10H8O2
Molecular Weight 160.05
AlogP 1.84
Hydrogen Bond Acceptor 2.0
Number of Rotational Bond 1.0
Polar Surface Area 26.3
Heavy Atoms 12.0

Cross References

Resources Reference
CAS NUMBER 53138-45-7
NORMAN SUSDAT
PubChem 40628