Keyword(s): Food Contact Chemicals
Molecule Category Free-form
EPA CompTox DTXSID60947947

Structure

InChI Key CHDQVBAPUJDYOV-UHFFFAOYSA-N
Smiles C=O.CC1=CC(O)=CC(C)=C1
InChI
InChI=1S/C8H10O.CH2O/c1-6-3-7(2)5-8(9)4-6;1-2/h3-5,9H,1-2H3;1H2

Physicochemical Descriptors

Property Name Value
Molecular Formula C9H12O2
Molecular Weight 152.08
AlogP 1.82
Hydrogen Bond Acceptor 2.0
Hydrogen Bond Donor 1.0
Polar Surface Area 37.3
Heavy Atoms 11.0

Cross References

Resources Reference
CAS NUMBER 25086-35-5
NORMAN SUSDAT
PubChem 168282