Keyword(s): Human Metabolites
Molecule Category Free-form
UNII W3FCQ2N8R4
EPA CompTox DTXSID40200663

Structure

InChI Key RCNCKKACINZDOI-UHFFFAOYSA-N
Smiles Cc1cc(O)cc(O)c1C
InChI
InChI=1S/C8H10O2/c1-5-3-7(9)4-8(10)6(5)2/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 527-55-9
NORMAN SUSDAT
FDA SRS W3FCQ2N8R4
PubChem 10697
ChemSpider 10247.0