Keyword(s): Human Metabolites
Molecule Category Free-form
UNII YCN83T03QU
EPA CompTox DTXSID0062424

Structure

InChI Key DLHXRDUXNVEIEY-UHFFFAOYSA-N
Smiles Cc1cc2c(cc1)ccc(=O)o2
InChI
InChI=1S/C10H8O2/c1-7-2-3-8-4-5-10(11)12-9(8)6-7/h2-6H,1H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C10H8O2
Molecular Weight 160.05
AlogP 2.1
Hydrogen Bond Acceptor 2.0
Polar Surface Area 30.21
Heavy Atoms 12.0

Cross References

Resources Reference
CAS NUMBER 2445-83-2
NORMAN SUSDAT
FDA SRS YCN83T03QU
PubChem 17131
ChemSpider 16215.0