Keyword(s): Human Metabolites
Molecule Category Free-form
UNII 2X65353N8G
EPA CompTox DTXSID6060006

Structure

InChI Key UMPRJGKLMUDRHL-UHFFFAOYSA-N
Smiles CCOC(=O)c1ccc(F)cc1
InChI
InChI=1S/C9H9FO2/c1-2-12-9(11)7-3-5-8(10)6-4-7/h3-6H,2H2,1H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C9H9F1O2
Molecular Weight 168.06
AlogP 2.0
Hydrogen Bond Acceptor 2.0
Number of Rotational Bond 2.0
Polar Surface Area 26.3
Heavy Atoms 12.0

Cross References

Resources Reference
CAS NUMBER 451-46-7
NORMAN SUSDAT
FDA SRS 2X65353N8G
PubChem 67976
ChemSpider 642987.0