Keyword(s): Human Metabolites
Molecule Category Free-form
UNII AV5P894C84

Structure

InChI Key AWMVMTVKBNGEAK-MRVPVSSYSA-N
Smiles C1O[C@H]1C1=CC=CC=C1;C1O[C@H]1c2ccccc2
InChI
InChI=1S/C8H8O/c1-2-4-7(5-3-1)8-6-9-8/h1-5,8H,6H2/t8-/m1/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C8H8O1
Molecular Weight 120.06
AlogP 1.76
Hydrogen Bond Acceptor 1.0
Number of Rotational Bond 1.0
Polar Surface Area 12.53
Heavy Atoms 9.0

Cross References

Resources Reference
CAS NUMBER 20780-54-5
NORMAN SUSDAT
FDA SRS AV5P894C84