Keyword(s): Human Metabolites
Molecule Category Free-form
EPA CompTox DTXSID3074529

Structure

InChI Key HUGHWHMUUQNACD-UHFFFAOYSA-N
Smiles C=CCOCc1ccccc1
InChI
InChI=1S/C10H12O/c1-2-8-11-9-10-6-4-3-5-7-10/h2-7H,1,8-9H2

Physicochemical Descriptors

Property Name Value
Molecular Formula C10H12O1
Molecular Weight 148.09
AlogP 2.39
Hydrogen Bond Acceptor 1.0
Number of Rotational Bond 4.0
Polar Surface Area 9.23
Heavy Atoms 11.0

Cross References

Resources Reference
CAS NUMBER 14593-43-2
NORMAN SUSDAT
PubChem 84542
ChemSpider 76265.0