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(Q82596600)
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English
(Pyrrolidin-1-yl)[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methanone
chemical compound
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Statements
instance of
type of chemical entity
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subclass of
chemical compound
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mass
301.18492402799995
dalton
1 reference
based on heuristic
inferred from InChI
chemical formula
C₁₇H₂₄BNO₃
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canonical SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC=C(C=C2)C(=O)N3CCCC3
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Identifiers
InChI
InChI=1S/C17H24BNO3/c1-16(2)17(3,4)22-18(21-16)14-9-7-13(8-10-14)15(20)19-11-5-6-12-19/h7-10H,5-6,11-12H2,1-4H3
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InChIKey
LVIFPVRUEPSHLJ-UHFFFAOYSA-N
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CAS Registry Number
1073353-55-5
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PubChem CID
46739028
1 reference
matched by identifier from
InChIKey
InChIKey
LVIFPVRUEPSHLJ-UHFFFAOYSA-N
UniChem compound ID
24538904
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID80674667
1 reference
matched by identifier from
InChIKey
InChIKey
LVIFPVRUEPSHLJ-UHFFFAOYSA-N
DSSTOX compound identifier
DTXCID20625416
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