+Open data
-Basic information
Entry | Database: PDB chemical components / ID: CCN | ||
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Name | Name: Wikipedia | Wikipedia - Acetonitrile: Acetonitrile, often abbreviated MeCN , is the chemical compound with the formula CH3CN and structure H3C−C≡N. This colourless liquid is the simplest organic nitrile (hydrogen cyanide is a simpler nitrile, but the cyanide anion is not classed as organic)... | |
-Chemical information
Composition | Formula: C2H3N / Number of atoms: 6 / Formula weight: 41.052 / Formal charge: 0 | ||||
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Others | Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: CCN / Ideal coordinates details: Corina / Model coordinates PDB-ID: 1AMT | ||||
History |
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External links | UniChem / Brenda / ChEBI / ChEMBL / CompTox / HMDB / NMRShiftDB / Nikkaji / PubChem / PubChem_TPharma / SureChEMBL / ChemSpider / Wikipedia search / Google search |
-Structure visualization
Structure viewer | Molecule: MolmilJmol/JSmol |
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-Details
-SMILES
ACDLabs 11.02 | CACTVS 3.352 | OpenEye OEToolkits 1.7.0 | |
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-SMILES CANONICAL
CACTVS 3.352 | OpenEye OEToolkits 1.7.0 | |
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-InChI
InChI 1.03 |
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-InChIKey
InChI 1.03 |
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-SYSTEMATIC NAME
ACDLabs 11.02 | OpenEye OEToolkits 1.6.1 | |
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