Keyword(s): Human Metabolites
Molecule Category Free-form
UNII 9Y4OZI563U
EPA CompTox DTXSID50211780

Structure

InChI Key BHGBNDNKYPEAAT-UHFFFAOYSA-N
Smiles CCOCc1ccco1
InChI
InChI=1S/C7H10O2/c1-2-8-6-7-4-3-5-9-7/h3-5H,2,6H2,1H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C7H10O2
Molecular Weight 126.07
AlogP 1.82
Hydrogen Bond Acceptor 2.0
Number of Rotational Bond 3.0
Polar Surface Area 22.37
Heavy Atoms 9.0

Cross References

Resources Reference
CAS NUMBER 6270-56-0
NORMAN SUSDAT
FDA SRS 9Y4OZI563U
PubChem 80455
ChemSpider 72666.0