Keyword(s): Human Metabolites
Molecule Category Free-form
UNII WSY46NQ4T6
EPA CompTox DTXSID3021489

Structure

InChI Key HPARLNRMYDSBNO-UHFFFAOYSA-N
Smiles O1C=COc2ccccc12
InChI
InChI=1S/C8H6O2/c1-2-4-8-7(3-1)9-5-6-10-8/h1-6H

Physicochemical Descriptors

Property Name Value
Molecular Formula C8H6O2
Molecular Weight 134.04
AlogP 1.93
Hydrogen Bond Acceptor 2.0
Polar Surface Area 18.46
Heavy Atoms 10.0

Cross References

Resources Reference
CAS NUMBER 255-37-8
NORMAN SUSDAT
FDA SRS WSY46NQ4T6