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OPO

Summary
Name:O-NITROPHENOL
Formula:C6 H5 N O3
Formal charge:0
Formula weight:139.109 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
ACDLabs12.012-nitrophenol
OpenEye OEToolkits1.7.62-nitrophenol

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01O=[N+]([O-])c1ccccc1O
InChIInChI1.03InChI=1S/C6H5NO3/c8-6-4-2-1-3-5(6)7(9)10/h1-4,8H
InChIKeyInChI1.03IQUPABOKLQSFBK-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385Oc1ccccc1[N+]([O-])=O
SMILESCACTVS3.385Oc1ccccc1[N+]([O-])=O
SMILES_CANONICALOpenEye OEToolkits1.7.6c1ccc(c(c1)[N+](=O)[O-])O
SMILESOpenEye OEToolkits1.7.6c1ccc(c(c1)[N+](=O)[O-])O

218500

PDB entries from 2024-04-17

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