Keyword(s): Human Metabolites
Molecule Category Free-form
UNII 7PJT17BE05
EPA CompTox DTXSID00167708

Structure

InChI Key DPHNJPUOMLRELT-UHFFFAOYSA-N
Smiles Oc1cccc2c1CCC2
InChI
InChI=1S/C9H10O/c10-9-6-2-4-7-3-1-5-8(7)9/h2,4,6,10H,1,3,5H2

Physicochemical Descriptors

Property Name Value
Molecular Formula C9H10O1
Molecular Weight 134.07
AlogP 1.88
Hydrogen Bond Acceptor 1.0
Hydrogen Bond Donor 1.0
Polar Surface Area 20.23
Heavy Atoms 10.0

Cross References

Resources Reference
CAS NUMBER 1641-41-4
NORMAN SUSDAT
FDA SRS 7PJT17BE05
PubChem 74233
ChemSpider 11662.0