XP1

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Summary

Name:4-(DIMETHYLAMINO)BENZOIC ACID
Formula:C9 H11 N O2
Formal charge:0
Molecular weight:165.189 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
ACDLabs10.044-(dimethylamino)benzoic acid
OpenEye OEToolkits1.5.04-dimethylaminobenzoic acid

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04O=C(O)c1ccc(N(C)C)cc1
SMILES_CANONICALCACTVS3.341CN(C)c1ccc(cc1)C(O)=O
SMILESCACTVS3.341CN(C)c1ccc(cc1)C(O)=O
SMILES_CANONICALOpenEye OEToolkits1.5.0CN(C)c1ccc(cc1)C(=O)O
SMILESOpenEye OEToolkits1.5.0CN(C)c1ccc(cc1)C(=O)O
InChIInChI1.03InChI=1S/C9H11NO2/c1-10(2)8-5-3-7(4-6-8)9(11)12/h3-6H,1-2H3,(H,11,12)
InChIKeyInChI1.03YDIYEOMDOWUDTJ-UHFFFAOYSA-N
169117
PDB entries from 2020-09-23