Keyword(s): Human Metabolites
Molecule Category Free-form
EPA CompTox DTXSID50967432

Structure

InChI Key FAQMUJPTADIXNH-WPZUCAASSA-N
Smiles O=C1CC2C=CC1C2COC
InChI
InChI=1/C9H12O2/c1-11-5-8-6-2-3-7(8)9(10)4-6/h2-3,6-8H,4-5H2,1H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C9H12O2
Molecular Weight 152.08
AlogP 1.02
Hydrogen Bond Acceptor 2.0
Number of Rotational Bond 2.0
Polar Surface Area 26.3
Heavy Atoms 11.0

Cross References

Resources Reference
CAS NUMBER 52962-99-9
NORMAN SUSDAT
PubChem 104372