Keyword(s): Human Metabolites
Molecule Category Free-form
UNII 5EOU9GC035
EPA CompTox DTXSID10881403

Structure

InChI Key OOXOWBLOFXAPBK-UHFFFAOYSA-N
Smiles COC1CCc2ccccc12
InChI
InChI=1S/C10H12O/c1-11-10-7-6-8-4-2-3-5-9(8)10/h2-5,10H,6-7H2,1H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C10H12O1
Molecular Weight 148.09
AlogP 2.32
Hydrogen Bond Acceptor 1.0
Number of Rotational Bond 1.0
Polar Surface Area 9.23
Heavy Atoms 11.0

Cross References

Resources Reference
CAS NUMBER 1006-27-5
NORMAN SUSDAT
FDA SRS 5EOU9GC035
PubChem 70506
ChemSpider 63678.0