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

Structure

InChI Key CVWMNAWLNRRPOL-UHFFFAOYSA-N
Smiles O=C(C)C(C=1C=CC=CC1)C
InChI
InChI=1/C10H12O/c1-8(9(2)11)10-6-4-3-5-7-10/h3-8H,1-2H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C10H12O
Molecular Weight 148.09
AlogP 2.38
Hydrogen Bond Acceptor 1.0
Number of Rotational Bond 2.0
Polar Surface Area 17.07
Heavy Atoms 11.0

Cross References

Resources Reference
CAS NUMBER 769-59-5
NORMAN SUSDAT
PubChem 97744