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- ChemComp-TBF: TERT-BUTYL FORMATE -

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Basic information

EntryDatabase: PDB chemical components / ID: TBF
NameName: tert-butyl formate / Synonyms: TERTIARY BUTOXY CARBONYL

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Chemical information

Composition
Formula: C5H10O2 / Number of atoms: 17 / Formula weight: 102.132 / Formal charge: 0
OthersType: NON-POLYMER / PDB classification: HETAIN / Three letter code: TBF / Ideal coordinates details: Corina
History
Create componentDec 18, 2003
Modify descriptorJun 4, 2011
Modify synonymsMar 1, 2021
Modify backboneNov 3, 2023
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 10.04O=COC(C)(C)C
CACTVS 3.341CC(C)(C)OC=O
OpenEye OEToolkits 1.5.0CC(C)(C)OC=O

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SMILES CANONICAL

CACTVS 3.341CC(C)(C)OC=O
OpenEye OEToolkits 1.5.0CC(C)(C)OC=O

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InChI

InChI 1.03InChI=1S/C5H10O2/c1-5(2,3)7-4-6/h4H,1-3H3

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InChIKey

InChI 1.03RUPAXCPQAAOIPB-UHFFFAOYSA-N

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SYSTEMATIC NAME

ACDLabs 10.04tert-butyl formate
OpenEye OEToolkits 1.5.0tert-butyl methanoate

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