Keyword(s): Human Metabolites
Molecule Category Free-form
UNII 2R6NTQ7Y6G
EPA CompTox DTXSID60197920

Structure

InChI Key SFLGSKRGOWRGBR-UHFFFAOYSA-N
Smiles C1OCc2c1cccc2
InChI
InChI=1S/C8H8O/c1-2-4-8-6-9-5-7(8)3-1/h1-4H,5-6H2

Physicochemical Descriptors

Property Name Value
Molecular Formula C8H8O1
Molecular Weight 120.06
AlogP 1.72
Hydrogen Bond Acceptor 1.0
Polar Surface Area 9.23
Heavy Atoms 9.0

Cross References

Resources Reference
CAS NUMBER 496-14-0
NORMAN SUSDAT
FDA SRS 2R6NTQ7Y6G
PubChem 10327
ChemSpider 9904.0