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NK

Summary
Name:SALICYLALDEHYDE
Formula:C7 H6 O2
Formal charge:0
Formula weight:122.121 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs10.042-hydroxybenzaldehyde
OpenEye OEToolkits1.5.02-hydroxybenzaldehyde

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04O=Cc1ccccc1O
SMILES_CANONICALCACTVS3.341Oc1ccccc1C=O
SMILESCACTVS3.341Oc1ccccc1C=O
SMILES_CANONICALOpenEye OEToolkits1.5.0c1ccc(c(c1)C=O)O
SMILESOpenEye OEToolkits1.5.0c1ccc(c(c1)C=O)O
InChIInChI1.03InChI=1S/C7H6O2/c8-5-6-3-1-2-4-7(6)9/h1-5,9H
InChIKeyInChI1.03SMQUZDBALVYZAC-UHFFFAOYSA-N

218196

PDB entries from 2024-04-10

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