Keyword(s): Human Metabolites
Molecule Category Free-form
UNII FV6JT9B4N3
EPA CompTox DTXSID50233987

Structure

InChI Key JUKZPSFOMPCDJN-UHFFFAOYSA-N
Smiles O=CCCOC1=CC=C(F)C=C1
InChI
InChI=1/C9H9FO2/c10-8-2-4-9(5-3-8)12-7-1-6-11/h2-6H,1,7H2

Physicochemical Descriptors

Property Name Value
Molecular Formula C9H9FO2
Molecular Weight 168.06
AlogP 1.79
Hydrogen Bond Acceptor 2.0
Number of Rotational Bond 4.0
Polar Surface Area 26.3
Heavy Atoms 12.0

Cross References

Resources Reference
CAS NUMBER 84946-15-6
NORMAN SUSDAT
FDA SRS FV6JT9B4N3
PubChem 3020239