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Summary
Name:3-(4-aminocarbonylphenyl)benzoic acid
Formula:C14 H11 N O3
Formal charge:0
Formula weight:241.242 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
OpenEye OEToolkits2.0.63-(4-aminocarbonylphenyl)benzoic acid

Chemical Descriptors

TypeProgramVersionDescriptor
InChIInChI1.03InChI=1S/C14H11NO3/c15-13(16)10-6-4-9(5-7-10)11-2-1-3-12(8-11)14(17)18/h1-8H,(H2,15,16)(H,17,18)
InChIKeyInChI1.03NZYMBNSXWYJPEG-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385NC(=O)c1ccc(cc1)c2cccc(c2)C(O)=O
SMILESCACTVS3.385NC(=O)c1ccc(cc1)c2cccc(c2)C(O)=O
SMILES_CANONICALOpenEye OEToolkits2.0.6c1cc(cc(c1)C(=O)O)c2ccc(cc2)C(=O)N
SMILESOpenEye OEToolkits2.0.6c1cc(cc(c1)C(=O)O)c2ccc(cc2)C(=O)N

226707

数据于2024-10-30公开中

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