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N0D

Summary
Name:2,4-dimethylphenol
Formula:C8 H10 O
Formal charge:0
Formula weight:122.164 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.012,4-dimethylphenol
OpenEye OEToolkits2.0.72,4-dimethylphenol

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01Cc1cc(C)ccc1O
InChIInChI1.03InChI=1S/C8H10O/c1-6-3-4-8(9)7(2)5-6/h3-5,9H,1-2H3
InChIKeyInChI1.03KUFFULVDNCHOFZ-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385Cc1ccc(O)c(C)c1
SMILESCACTVS3.385Cc1ccc(O)c(C)c1
SMILES_CANONICALOpenEye OEToolkits2.0.7Cc1ccc(c(c1)C)O
SMILESOpenEye OEToolkits2.0.7Cc1ccc(c(c1)C)O

218500

PDB entries from 2024-04-17

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