Keyword(s): Human Metabolites
Molecule Category Free-form
UNII RB8LU2C57F
EPA CompTox DTXSID7059278

Structure

InChI Key DLRJIFUOBPOJNS-UHFFFAOYSA-N
Smiles CCOc1ccccc1
InChI
InChI=1S/C8H10O/c1-2-9-8-6-4-3-5-7-8/h3-7H,2H2,1H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C8H10O1
Molecular Weight 122.07
AlogP 2.09
Hydrogen Bond Acceptor 1.0
Number of Rotational Bond 2.0
Polar Surface Area 9.23
Heavy Atoms 9.0

Cross References

Resources Reference
CAS NUMBER 103-73-1
NORMAN SUSDAT
FDA SRS RB8LU2C57F
PubChem 7674
ChemSpider 7391.0