Keyword(s): Human Metabolites
Molecule Category Free-form
UNII 720BFP0VAT

Structure

InChI Key UCHRDYUBDZOFBJ-UHFFFAOYSA-N
Smiles OC=1C(=CC(OC)=CC1C)C
InChI
InChI=1/C9H12O2/c1-6-4-8(11-3)5-7(2)9(6)10/h4-5,10H,1-3H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C9H12O2
Molecular Weight 152.08
AlogP 2.02
Hydrogen Bond Acceptor 2.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 1.0
Polar Surface Area 29.46
Heavy Atoms 11.0

Cross References

Resources Reference
CAS NUMBER 1329-97-1
NORMAN SUSDAT
FDA SRS 720BFP0VAT
PubChem 73996