Keyword(s): Human Metabolites
Molecule Category Free-form
EPA CompTox DTXSID50938824

Structure

InChI Key NCDNOKVFSOMXCA-UHFFFAOYSA-N
Smiles O=C(OC)C1C2C=CC(C2)C1C
InChI
InChI=1/C10H14O2/c1-6-7-3-4-8(5-7)9(6)10(11)12-2/h3-4,6-9H,5H2,1-2H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C10H14O2
Molecular Weight 166.1
AlogP 1.62
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 17660-75-2
NORMAN SUSDAT
PubChem 86603