Keyword(s): Human Metabolites
Molecule Category Free-form
UNII F6A62M57LM
EPA CompTox DTXSID3060033

Structure

InChI Key VIPWUFMFHBIKQI-UHFFFAOYSA-N
Smiles FC1=CC=C(OC)C=C1
InChI
InChI=1/C7H7FO/c1-9-7-4-2-6(8)3-5-7/h2-5H,1H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C7H7FO
Molecular Weight 126.05
AlogP 1.83
Hydrogen Bond Acceptor 1.0
Number of Rotational Bond 1.0
Polar Surface Area 9.23
Heavy Atoms 9.0

Cross References

Resources Reference
CAS NUMBER 459-60-9
NORMAN SUSDAT
FDA SRS F6A62M57LM
PubChem 9987