Loading
PDBj
MenuPDBj@FacebookPDBj@X(formerly Twitter)PDBj@BlueSkyPDBj@YouTubewwPDB FoundationwwPDB
RCSB PDBPDBeBMRBAdv. SearchSearch help

5UH

Summary
Name:2-(4-methoxy-3-phenyl-phenyl)ethanoic acid
Formula:C15 H14 O3
Formal charge:0
Formula weight:242.27 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
OpenEye OEToolkits2.0.42-(4-methoxy-3-phenyl-phenyl)ethanoic acid

Chemical Descriptors

TypeProgramVersionDescriptor
InChIInChI1.03InChI=1S/C15H14O3/c1-18-14-8-7-11(10-15(16)17)9-13(14)12-5-3-2-4-6-12/h2-9H,10H2,1H3,(H,16,17)
InChIKeyInChI1.03JHXCUSZPZNECKH-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385COc1ccc(CC(O)=O)cc1c2ccccc2
SMILESCACTVS3.385COc1ccc(CC(O)=O)cc1c2ccccc2
SMILES_CANONICALOpenEye OEToolkits2.0.4COc1ccc(cc1c2ccccc2)CC(=O)O
SMILESOpenEye OEToolkits2.0.4COc1ccc(cc1c2ccccc2)CC(=O)O

227344

数据于2024-11-13公开中

PDB statisticsPDBj update infoContact PDBjnumon