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N9J

Summary
Name:benzyl hydroxycarbamate
Formula:C8 H9 N O3
Formal charge:0
Formula weight:167.162 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.01benzyl hydroxycarbamate
OpenEye OEToolkits2.0.7(phenylmethyl) ~{N}-oxidanylcarbamate

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01c1cccc(c1)COC(=O)NO
InChIInChI1.03InChI=1S/C8H9NO3/c10-8(9-11)12-6-7-4-2-1-3-5-7/h1-5,11H,6H2,(H,9,10)
InChIKeyInChI1.03PQBSPTAPCMSZAA-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385ONC(=O)OCc1ccccc1
SMILESCACTVS3.385ONC(=O)OCc1ccccc1
SMILES_CANONICALOpenEye OEToolkits2.0.7c1ccc(cc1)COC(=O)NO
SMILESOpenEye OEToolkits2.0.7c1ccc(cc1)COC(=O)NO

224572

PDB entries from 2024-09-04

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