+Open data
-Basic information
Entry | Database: PDB chemical components / ID: BEZ | ||
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Name | Name: Wikipedia | Wikipedia - Benzoic acid: Benzoic acid is a white (or colorless) solid organic compound with the formula C6H5COOH, whose structure consists of a benzene ring with a carboxyl (−C(=O)OH) substituent. The benzoyl group is often abbreviated "Bz" (not to be confused with "Bn" which is used for benzyl), thus benzoic acid is also denoted as BzOH, since the benzoyl group has the formula –C6H5CO... | |
-Chemical information
Composition | Formula: C7H6O2 / Number of atoms: 15 / Formula weight: 122.121 / Formal charge: 0 | ||||||
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Others | Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: BEZ / Ideal coordinates details: Corina / Model coordinates PDB-ID: 1DJR / Replaces: BOX | ||||||
History |
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External links | UniChem / BindingDB / Brenda / ChEBI / ChEMBL / ChemicalBook / CompTox / DailyMed / DrugBank / HMDB / KEGG_Ligand / Metabolights / NMRShiftDB / Nikkaji / PubChem / PubChem_TPharma / SureChEMBL / ZINC / ChemSpider / Wikipedia search / Google search |
-Structure visualization
Structure viewer | Molecule: MolmilJmol/JSmol |
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-Details
-SMILES
ACDLabs 12.01 | CACTVS 3.370 | OpenEye OEToolkits 1.7.6 | |
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-SMILES CANONICAL
CACTVS 3.370 | OpenEye OEToolkits 1.7.6 | |
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-InChI
InChI 1.03 |
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-InChIKey
InChI 1.03 |
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-SYSTEMATIC NAME
ACDLabs 12.01 | OpenEye OEToolkits 1.7.6 | |
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