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I3A

Summary
Name:1H-INDOLE-3-CARBALDEHYDE
Formula:C9 H7 N O
Formal charge:0
Formula weight:145.158 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs10.041H-indole-3-carbaldehyde
OpenEye OEToolkits1.5.01H-indole-3-carbaldehyde

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04O=Cc2c1ccccc1nc2
SMILES_CANONICALCACTVS3.341O=Cc1c[nH]c2ccccc12
SMILESCACTVS3.341O=Cc1c[nH]c2ccccc12
SMILES_CANONICALOpenEye OEToolkits1.5.0c1ccc2c(c1)c(c[nH]2)C=O
SMILESOpenEye OEToolkits1.5.0c1ccc2c(c1)c(c[nH]2)C=O
InChIInChI1.03InChI=1S/C9H7NO/c11-6-7-5-10-9-4-2-1-3-8(7)9/h1-6,10H
InChIKeyInChI1.03OLNJUISKUQQNIM-UHFFFAOYSA-N

217705

PDB entries from 2024-03-27

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