Keyword(s): Human Metabolites
Molecule Category Free-form
UNII 2ML63PLH7G
EPA CompTox DTXSID7020475

Structure

InChI Key MYEIDJPOUKASEC-UHFFFAOYSA-N
Smiles CCCc1ccc2OCOc2c1
InChI
InChI=1S/C10H12O2/c1-2-3-8-4-5-9-10(6-8)12-7-11-9/h4-6H,2-3,7H2,1H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C10H12O2
Molecular Weight 164.08
AlogP 2.37
Hydrogen Bond Acceptor 2.0
Number of Rotational Bond 2.0
Polar Surface Area 18.46
Heavy Atoms 12.0

Cross References

Resources Reference
CAS NUMBER 94-58-6
NORMAN SUSDAT
FDA SRS 2ML63PLH7G
PubChem 7197
ChemSpider 6929.0