Keyword(s): Human Metabolites
Molecule Category Free-form
UNII 8P6RC5945T

Structure

InChI Key JHHXPQAUADQJBQ-UHFFFAOYSA-N
Smiles CC1(C)C=CC=C(C=C1)C(O)=O
InChI
InChI=1S/C10H12O2/c1-10(2)6-3-4-8(5-7-10)9(11)12/h3-7H,1-2H3,(H,11,12)

Physicochemical Descriptors

Property Name Value
Molecular Formula C10H12O2
Molecular Weight 164.08
AlogP 2.15
Hydrogen Bond Acceptor 1.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 1.0
Polar Surface Area 37.3
Heavy Atoms 12.0

Cross References

Resources Reference
CAS NUMBER 499-89-8
NORMAN SUSDAT
FDA SRS 8P6RC5945T