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JZ3

Summary
Name:Guaiacol
Synonyms:2-methoxyphenol
Formula:C7 H8 O2
Formal charge:0
Formula weight:124.137 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.012-methoxyphenol
OpenEye OEToolkits1.7.62-methoxyphenol

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01Oc1ccccc1OC
InChIInChI1.03InChI=1S/C7H8O2/c1-9-7-5-3-2-4-6(7)8/h2-5,8H,1H3
InChIKeyInChI1.03LHGVFZTZFXWLCP-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.370COc1ccccc1O
SMILESCACTVS3.370COc1ccccc1O
SMILES_CANONICALOpenEye OEToolkits1.7.6COc1ccccc1O
SMILESOpenEye OEToolkits1.7.6COc1ccccc1O

217705

PDB entries from 2024-03-27

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