Keyword(s): Human Metabolites
Molecule Category Free-form
UNII MZ42K7X4YH
EPA CompTox DTXSID60174458

Structure

InChI Key INHYNOZJAVXMJL-UHFFFAOYSA-N
Smiles Cc1cccc2c1OCO2
InChI
InChI=1S/C8H8O2/c1-6-3-2-4-7-8(6)10-5-9-7/h2-4H,5H2,1H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C8H8O2
Molecular Weight 136.05
AlogP 1.72
Hydrogen Bond Acceptor 2.0
Polar Surface Area 18.46
Heavy Atoms 10.0

Cross References

Resources Reference
CAS NUMBER 20487-10-9
NORMAN SUSDAT
FDA SRS MZ42K7X4YH
PubChem 88560
ChemSpider 7621.0