Structure

InChI Key LZDOYVMSNJBLIM-UHFFFAOYSA-N
Smiles C=O.CC(C)(C)C1=CC=C(O)C=C1
InChI
InChI=1S/C10H14O.CH2O/c1-10(2,3)8-4-6-9(11)7-5-8;1-2/h4-7,11H,1-3H3;1H2

Physicochemical Descriptors

Property Name Value
Molecular Formula C11H16O2
Molecular Weight 180.12
AlogP 2.5
Hydrogen Bond Acceptor 2.0
Hydrogen Bond Donor 1.0
Polar Surface Area 37.3
Heavy Atoms 13.0

Cross References

Resources Reference
CAS NUMBER 25085-50-1
NORMAN SUSDAT