Keyword(s): Human Metabolites
Molecule Category Free-form
UNII KJ0091KAAH
EPA CompTox DTXSID4057845

Structure

InChI Key ABJKIHHNDMEBNA-UHFFFAOYSA-N
Smiles Cc1coc2c(cccc2)c1=O
InChI
InChI=1S/C10H8O2/c1-7-6-12-9-5-3-2-4-8(9)10(7)11/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 85-90-5
NORMAN SUSDAT
FDA SRS KJ0091KAAH
PubChem 66569
ChemSpider 59939.0