3IO

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Summary

Name:3-(1H-INDOL-3-YL)-2-OXOPROPANOIC ACID
Formula:C11 H9 N O3
Formal charge:0
Molecular weight:203.194 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs10.043-(1H-indol-3-yl)-2-oxopropanoic acid
OpenEye OEToolkits1.5.03-(1H-indol-3-yl)-2-oxo-propanoic acid

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04O=C(O)C(=O)Cc2c1ccccc1nc2
SMILES_CANONICALCACTVS3.341OC(=O)C(=O)Cc1c[nH]c2ccccc12
SMILESCACTVS3.341OC(=O)C(=O)Cc1c[nH]c2ccccc12
SMILES_CANONICALOpenEye OEToolkits1.5.0c1ccc2c(c1)c(c[nH]2)CC(=O)C(=O)O
SMILESOpenEye OEToolkits1.5.0c1ccc2c(c1)c(c[nH]2)CC(=O)C(=O)O
InChIInChI1.03InChI=1S/C11H9NO3/c13-10(11(14)15)5-7-6-12-9-4-2-1-3-8(7)9/h1-4,6,12H,5H2,(H,14,15)
InChIKeyInChI1.03RSTKLPZEZYGQPY-UHFFFAOYSA-N