CAQ

?

Summary

Name:CATECHOL
Synonyms:1,2-DIHYDROXYBENZENE
Formula:C6 H6 O2
Formal charge:0
Molecular weight:110.111 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs10.04benzene-1,2-diol
OpenEye OEToolkits1.5.0benzene-1,2-diol

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04Oc1ccccc1O
SMILES_CANONICALCACTVS3.341Oc1ccccc1O
SMILESCACTVS3.341Oc1ccccc1O
SMILES_CANONICALOpenEye OEToolkits1.5.0c1ccc(c(c1)O)O
SMILESOpenEye OEToolkits1.5.0c1ccc(c(c1)O)O
InChIInChI1.03InChI=1S/C6H6O2/c7-5-3-1-2-4-6(5)8/h1-4,7-8H
InChIKeyInChI1.03YCIMNLLNPGFGHC-UHFFFAOYSA-N
170172
PDB entries from 2020-10-21