Keyword(s): Human Metabolites
Molecule Category Free-form
EPA CompTox DTXSID90185491

Structure

InChI Key XBSQOKFFZZKPFM-UHFFFAOYSA-N
Smiles COCCOCc1ccccc1
InChI
InChI=1S/C10H14O2/c1-11-7-8-12-9-10-5-3-2-4-6-10/h2-6H,7-9H2,1H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C10H14O2
Molecular Weight 166.1
AlogP 1.85
Hydrogen Bond Acceptor 2.0
Number of Rotational Bond 5.0
Polar Surface Area 18.46
Heavy Atoms 12.0

Cross References

Resources Reference
CAS NUMBER 31600-56-3
NORMAN SUSDAT
PubChem 35855
ChemSpider 32981.0