Keyword(s): Food Contact Chemicals
Molecule Category Free-form
EPA CompTox DTXSID70948945

Structure

InChI Key UZRCGISJYYLJMA-UHFFFAOYSA-N
Smiles OC1=CC=CC=C1.C=CC1=CC=CC=C1
InChI
InChI=1S/C8H8.C6H6O/c1-2-8-6-4-3-5-7-8;7-6-4-2-1-3-5-6/h2-7H,1H2;1-5,7H

Physicochemical Descriptors

Property Name Value
Molecular Formula C14H14O
Molecular Weight 198.1
AlogP 3.72
Hydrogen Bond Acceptor 1.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 1.0
Polar Surface Area 20.23
Heavy Atoms 15.0

Cross References

Resources Reference
CAS NUMBER 26062-78-2
NORMAN SUSDAT
PubChem 168471