Keyword(s): Human Metabolites
Molecule Category Free-form
UNII 26S07OSX4O
EPA CompTox DTXSID6061943

Structure

InChI Key POSICDHOUBKJKP-UHFFFAOYSA-N
Smiles C=CCOc1ccccc1
InChI
InChI=1S/C9H10O/c1-2-8-10-9-6-4-3-5-7-9/h2-7H,1,8H2

Physicochemical Descriptors

Property Name Value
Molecular Formula C9H10O1
Molecular Weight 134.07
AlogP 2.25
Hydrogen Bond Acceptor 1.0
Number of Rotational Bond 3.0
Polar Surface Area 9.23
Heavy Atoms 10.0

Cross References

Resources Reference
CAS NUMBER 1746-13-0
NORMAN SUSDAT
FDA SRS 26S07OSX4O
PubChem 74458
ChemSpider 21159535.0