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- ChemComp-DOX: DIOXANE -

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Basic information

EntryDatabase: PDB chemical components / ID: DOX
Status

DIO

Status: Obsoleted / Replaced by: DIO
NameName: dioxane

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Chemical information

Composition
Formula: C4H8O2 / Number of atoms: 14 / Formula weight: 88.105 / Formal charge: 0
Others

2ng1

Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: DOX / Model coordinates PDB-ID: 2NG1
History
Create componentJul 8, 1999
External linksUniChem / ChemSpider / Wikipedia search / Google search

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Structure visualization

Structure viewerMolecule:
MolmilJmol/JSmol

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Details

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SMILES

ACDLabs 10.04O1CCOCC1
CACTVS 3.341C1COCCO1
OpenEye OEToolkits 1.5.0C1COCCO1

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SMILES CANONICAL

CACTVS 3.341C1COCCO1
OpenEye OEToolkits 1.5.0C1COCCO1

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InChI

InChI 1.02bInChI=1/C4H8O2/c1-2-6-4-3-5-1/h1-4H2

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InChIKey

InChI 1.02bRYHBNJHYFVUHQT-UHFFFAOYAN

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SYSTEMATIC NAME

ACDLabs 10.041,4-dioxane
OpenEye OEToolkits 1.5.01,4-dioxane

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