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ICO

Summary
Name:1H-INDOLE-3-CARBOXYLIC ACID
Formula:C9 H7 N O2
Formal charge:0
Formula weight:161.157 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs10.041H-indole-3-carboxylic acid
OpenEye OEToolkits1.5.01H-indole-3-carboxylic acid

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04O=C(O)c2c1ccccc1nc2
SMILES_CANONICALCACTVS3.341OC(=O)c1c[nH]c2ccccc12
SMILESCACTVS3.341OC(=O)c1c[nH]c2ccccc12
SMILES_CANONICALOpenEye OEToolkits1.5.0c1ccc2c(c1)c(c[nH]2)C(=O)O
SMILESOpenEye OEToolkits1.5.0c1ccc2c(c1)c(c[nH]2)C(=O)O
InChIInChI1.03InChI=1S/C9H7NO2/c11-9(12)7-5-10-8-4-2-1-3-6(7)8/h1-5,10H,(H,11,12)
InChIKeyInChI1.03KMAKOBLIOCQGJP-UHFFFAOYSA-N

217705

PDB entries from 2024-03-27

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