Keyword(s): Human Metabolites
Molecule Category Free-form
UNII 34WSP69ABK

Structure

InChI Key PSCXFXNEYIHJST-QPJJXVBHSA-N
Smiles OC(=O)CC=Cc1ccccc1
InChI
InChI=1S/C10H10O2/c11-10(12)8-4-7-9-5-2-1-3-6-9/h1-7H,8H2,(H,11,12)/b7-4+

Physicochemical Descriptors

Property Name Value
Molecular Formula C10H10O2
Molecular Weight 162.07
AlogP 2.17
Hydrogen Bond Acceptor 1.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 3.0
Polar Surface Area 37.3
Heavy Atoms 12.0

Cross References

Resources Reference
CAS NUMBER 1914-58-5
NORMAN SUSDAT
FDA SRS 34WSP69ABK