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BEZ

Summary
Name:BENZOIC ACID
Formula:C7 H6 O2
Formal charge:0
Formula weight:122.121 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.01benzoic acid
OpenEye OEToolkits1.7.6benzoic acid

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01O=C(O)c1ccccc1
InChIInChI1.03InChI=1S/C7H6O2/c8-7(9)6-4-2-1-3-5-6/h1-5H,(H,8,9)
InChIKeyInChI1.03WPYMKLBDIGXBTP-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.370OC(=O)c1ccccc1
SMILESCACTVS3.370OC(=O)c1ccccc1
SMILES_CANONICALOpenEye OEToolkits1.7.6c1ccc(cc1)C(=O)O
SMILESOpenEye OEToolkits1.7.6c1ccc(cc1)C(=O)O

217705

PDB entries from 2024-03-27

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