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ZZA

Summary
Name:1-PHENYL-1H-PYRAZOLE-4-CARBOXYLIC ACID
Formula:C10 H8 N2 O2
Formal charge:0
Formula weight:188.183 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
ACDLabs10.041-phenyl-1H-pyrazole-4-carboxylic acid
OpenEye OEToolkits1.5.01-phenylpyrazole-4-carboxylic acid

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04O=C(O)c1cn(nc1)c2ccccc2
SMILES_CANONICALCACTVS3.341OC(=O)c1cnn(c1)c2ccccc2
SMILESCACTVS3.341OC(=O)c1cnn(c1)c2ccccc2
SMILES_CANONICALOpenEye OEToolkits1.5.0c1ccc(cc1)n2cc(cn2)C(=O)O
SMILESOpenEye OEToolkits1.5.0c1ccc(cc1)n2cc(cn2)C(=O)O
InChIInChI1.03InChI=1S/C10H8N2O2/c13-10(14)8-6-11-12(7-8)9-4-2-1-3-5-9/h1-7H,(H,13,14)
InChIKeyInChI1.03ZROILLPDIUNLSE-UHFFFAOYSA-N

217705

PDB entries from 2024-03-27

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