Keyword(s): Human Metabolites
Molecule Category Free-form
UNII 574JV8BYR2
EPA CompTox DTXSID50150029

Structure

InChI Key HFLGBNBLMBSXEM-UHFFFAOYSA-N
Smiles CCc1cc(O)c(O)cc1
InChI
InChI=1S/C8H10O2/c1-2-6-3-4-7(9)8(10)5-6/h3-5,9-10H,2H2,1H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C8H10O2
Molecular Weight 138.07
AlogP 1.66
Hydrogen Bond Acceptor 2.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 1.0
Polar Surface Area 40.46
Heavy Atoms 10.0

Cross References

Resources Reference
CAS NUMBER 1124-39-6
NORMAN SUSDAT
FDA SRS 574JV8BYR2
PubChem 70761
ChemSpider 63926.0