Loading
PDBj
MenuPDBj@FacebookPDBj@TwitterPDBj@YouTubewwPDB FoundationwwPDB
RCSB PDBPDBeBMRBAdv. SearchSearch help

EAJ

Summary
Name:3-(2-methoxyphenyl)benzoic acid
Formula:C14 H12 O3
Formal charge:0
Formula weight:228.243 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
OpenEye OEToolkits2.0.63-(2-methoxyphenyl)benzoic acid

Chemical Descriptors

TypeProgramVersionDescriptor
InChIInChI1.03InChI=1S/C14H12O3/c1-17-13-8-3-2-7-12(13)10-5-4-6-11(9-10)14(15)16/h2-9H,1H3,(H,15,16)
InChIKeyInChI1.03COUUHAJQLHMNJM-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385COc1ccccc1c2cccc(c2)C(O)=O
SMILESCACTVS3.385COc1ccccc1c2cccc(c2)C(O)=O
SMILES_CANONICALOpenEye OEToolkits2.0.6COc1ccccc1c2cccc(c2)C(=O)O
SMILESOpenEye OEToolkits2.0.6COc1ccccc1c2cccc(c2)C(=O)O

226707

數據於2024-10-30公開中

PDB statisticsPDBj update infoContact PDBjnumon