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0R0

Summary
Name:2-hydroxybenzonitrile
Synonyms:2-Cyanophenol
Formula:C7 H5 N O
Formal charge:0
Formula weight:119.121 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.012-hydroxybenzonitrile
OpenEye OEToolkits1.7.62-oxidanylbenzenecarbonitrile

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01N#Cc1ccccc1O
InChIInChI1.03InChI=1S/C7H5NO/c8-5-6-3-1-2-4-7(6)9/h1-4,9H
InChIKeyInChI1.03CHZCERSEMVWNHL-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.370Oc1ccccc1C#N
SMILESCACTVS3.370Oc1ccccc1C#N
SMILES_CANONICALOpenEye OEToolkits1.7.6c1ccc(c(c1)C#N)O
SMILESOpenEye OEToolkits1.7.6c1ccc(c(c1)C#N)O

217705

PDB entries from 2024-03-27

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