Keyword(s): Human Metabolites
Molecule Category Free-form
UNII 55HL2W86YM
EPA CompTox DTXSID1060631

Structure

InChI Key XYKFCIJKMCQULO-UHFFFAOYSA-N
Smiles Cc1cc(OC(=O)c2ccccc2)ccc1
InChI
InChI=1S/C14H12O2/c1-11-6-5-9-13(10-11)16-14(15)12-7-3-2-4-8-12/h2-10H,1H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C14H12O2
Molecular Weight 212.08
AlogP 3.21
Hydrogen Bond Acceptor 2.0
Number of Rotational Bond 2.0
Polar Surface Area 26.3
Heavy Atoms 16.0

Cross References

Resources Reference
CAS NUMBER 614-32-4
NORMAN SUSDAT
FDA SRS 55HL2W86YM
PubChem 69193
ChemSpider 62407.0