B74

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Summary

Name:(3-methylphenyl)methanol
Formula:C8 H10 O
Formal charge:0
Molecular weight:122.164 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.01(3-methylphenyl)methanol
OpenEye OEToolkits2.0.6(3-methylphenyl)methanol

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01C(O)c1cc(ccc1)C
InChIInChI1.03InChI=1S/C8H10O/c1-7-3-2-4-8(5-7)6-9/h2-5,9H,6H2,1H3
InChIKeyInChI1.03JJCKHVUTVOPLBV-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385Cc1cccc(CO)c1
SMILESCACTVS3.385Cc1cccc(CO)c1
SMILES_CANONICALOpenEye OEToolkits2.0.6Cc1cccc(c1)CO
SMILESOpenEye OEToolkits2.0.6Cc1cccc(c1)CO
167132
PDB entries from 2020-07-29