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Obsolete: 6AB

6AB was replaced with BE2 on
Summary
Name:6-AMINOBENZOIC ACID
Formula:C7 H7 N O2
Formal charge:0
Formula weight:137.136 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs10.042-aminobenzoic acid
OpenEye OEToolkits1.5.02-aminobenzoic acid

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04O=C(O)c1ccccc1N
InChIInChI1.02bInChI=1/C7H7NO2/c8-6-4-2-1-3-5(6)7(9)10/h1-4H,8H2,(H,9,10)/f/h9H
InChIKeyInChI1.02bRWZYAGGXGHYGMB-BGGKNDAXCO
SMILES_CANONICALCACTVS3.341Nc1ccccc1C(O)=O
SMILESCACTVS3.341Nc1ccccc1C(O)=O
SMILES_CANONICALOpenEye OEToolkits1.5.0c1ccc(c(c1)C(=O)O)N
SMILESOpenEye OEToolkits1.5.0c1ccc(c(c1)C(=O)O)N

218853

PDB entries from 2024-04-24

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