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KIX

Summary
Name:1,1-bis(oxidanyl)-3,4-dihydro-2,1$l^{4}-benzoxaborinine
Synonyms:3,4-dihydro-1H-1l4-benzo[c][1,2]oxaborinine-1,1-diol
Formula:C8 H10 B O3
Formal charge:0
Formula weight:164.974 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
OpenEye OEToolkits2.0.71,1-bis(oxidanyl)-3,4-dihydro-2,1$l^{4}-benzoxaborinine

Chemical Descriptors

TypeProgramVersionDescriptor
InChIInChI1.06InChI=1S/C8H10BO3/c10-9(11)8-4-2-1-3-7(8)5-6-12-9/h1-4,10-11H,5-6H2
InChIKeyInChI1.06MFYYVEPZJUPHCD-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385O[B]1(O)OCCc2ccccc12
SMILESCACTVS3.385O[B]1(O)OCCc2ccccc12
SMILES_CANONICALOpenEye OEToolkits2.0.7B1(c2ccccc2CCO1)(O)O
SMILESOpenEye OEToolkits2.0.7B1(c2ccccc2CCO1)(O)O

224004

PDB entries from 2024-08-21

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