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- ChemComp-PEG: DI(HYDROXYETHYL)ETHER -

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Basic information

EntryDatabase: PDB chemical components / ID: PEG
NameName: di(hydroxyethyl)ether

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Chemical information

Composition
Formula: C4H10O3 / Number of atoms: 17 / Formula weight: 106.12 / Formal charge: 0
Others

1dp7

Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: PEG / Ideal coordinates details: Corina / Model coordinates PDB-ID: 1DP7
History
Create componentJul 8, 1999
Modify descriptorJun 4, 2011
Modify leaving atom flagJul 20, 2012
External linksUniChem / ChemSpider / Brenda / ChEBI / ChEMBL / ChemicalBook / CompTox / HMDB / KEGG_Ligand / NMRShiftDB / Nikkaji / PubChem / PubChem_TPharma / SureChEMBL / ZINC / 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 12.01OCCOCCO
CACTVS 3.370OCCOCCO
OpenEye OEToolkits 1.7.6C(COCCO)O

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SMILES CANONICAL

CACTVS 3.370OCCOCCO
OpenEye OEToolkits 1.7.6C(COCCO)O

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InChI

InChI 1.03InChI=1S/C4H10O3/c5-1-3-7-4-2-6/h5-6H,1-4H2

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InChIKey

InChI 1.03MTHSVFCYNBDYFN-UHFFFAOYSA-N

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SYSTEMATIC NAME

ACDLabs 12.012,2'-oxydiethanol
OpenEye OEToolkits 1.7.62-(2-hydroxyethyloxy)ethanol

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