Keyword(s): Human Metabolites
Molecule Category Free-form
UNII C7UIY640OR
EPA CompTox DTXSID90197610

Structure

InChI Key GHVHDYYKJYXFGU-UHFFFAOYSA-N
Smiles Cc1cc(O)c(C)c(O)c1
InChI
InChI=1S/C8H10O2/c1-5-3-7(9)6(2)8(10)4-5/h3-4,9-10H,1-2H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C8H10O2
Molecular Weight 138.07
AlogP 1.71
Hydrogen Bond Acceptor 2.0
Hydrogen Bond Donor 2.0
Polar Surface Area 40.46
Heavy Atoms 10.0

Cross References

Resources Reference
CAS NUMBER 488-87-9
NORMAN SUSDAT
FDA SRS C7UIY640OR
PubChem 68103
ChemSpider 61412.0