Keyword(s): Human Metabolites
Molecule Category Free-form
UNII 5X457YEW8Y
EPA CompTox DTXSID8059631

Structure

InChI Key XOOMNEFVDUTJPP-UHFFFAOYSA-N
Smiles Oc1cc(O)c2ccccc2c1
InChI
InChI=1S/C10H8O2/c11-8-5-7-3-1-2-4-9(7)10(12)6-8/h1-6,11-12H

Physicochemical Descriptors

Property Name Value
Molecular Formula C10H8O2
Molecular Weight 160.05
AlogP 2.25
Hydrogen Bond Acceptor 2.0
Hydrogen Bond Donor 2.0
Polar Surface Area 40.46
Heavy Atoms 12.0

Cross References

Resources Reference
CAS NUMBER 132-86-5
NORMAN SUSDAT
FDA SRS 5X457YEW8Y
PubChem 8601
ChemSpider 8282.0