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EXB

Summary
Name:3-(1H-benzimidazol-1-yl)propanoic acid
Formula:C10 H10 N2 O2
Formal charge:0
Formula weight:190.199 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs10.043-(1H-benzimidazol-1-yl)propanoic acid
OpenEye OEToolkits1.5.03-(benzimidazol-1-yl)propanoic acid

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04O=C(O)CCn1c2ccccc2nc1
SMILES_CANONICALCACTVS3.341OC(=O)CCn1cnc2ccccc12
SMILESCACTVS3.341OC(=O)CCn1cnc2ccccc12
SMILES_CANONICALOpenEye OEToolkits1.5.0c1ccc2c(c1)ncn2CCC(=O)O
SMILESOpenEye OEToolkits1.5.0c1ccc2c(c1)ncn2CCC(=O)O
InChIInChI1.03InChI=1S/C10H10N2O2/c13-10(14)5-6-12-7-11-8-3-1-2-4-9(8)12/h1-4,7H,5-6H2,(H,13,14)
InChIKeyInChI1.03XKGRXBQGCQJOHQ-UHFFFAOYSA-N

217705

PDB entries from 2024-03-27

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