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(Q82666527)
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English
Ethyl (2E)-3-methyl-2-[(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)methyl]pent-2-enoate
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
chemical compound
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mass
282.200239744
dalton
1 reference
based on heuristic
inferred from isomeric SMILES
chemical formula
C₁₅H₂₇BO₄
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canonical SMILES
CCOC(=O)/C(CB1OC(C)(C)C(C)(C)O1)=C(\C)CC
1 reference
based on heuristic
inferred from InChI
isomeric SMILES
B1(OC(C(O1)(C)C)(C)C)C/C(=C(/C)\CC)/C(=O)OCC
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Identifiers
InChI
InChI=1S/C15H27BO4/c1-8-11(3)12(13(17)18-9-2)10-16-19-14(4,5)15(6,7)20-16/h8-10H2,1-7H3/b12-11+
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InChIKey
WQNGQYFMMNBTAO-VAWYXSNFSA-N
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CAS Registry Number
403805-84-5
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PubChem CID
57416229
1 reference
matched by identifier from
InChIKey
InChIKey
WQNGQYFMMNBTAO-VAWYXSNFSA-N
UniChem compound ID
48622393
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID00725908
1 reference
matched by identifier from
InChIKey
InChIKey
WQNGQYFMMNBTAO-VAWYXSNFSA-N
DSSTOX compound identifier
DTXCID50676653
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