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Clauson–Kaas pyrrole synthesis using diverse catalysts: a transition from conventional to greener approach

Dileep Kumar Singh and Rajesh Kumar

Beilstein J. Org. Chem. 2023, 19, 928–955. https://doi.org/10.3762/bjoc.19.71

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Chemical structure [C<sub>6</sub>H<sub>13</sub>O<sub>3</sub>]<sup>+</sup>

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Extracted from

Scheme 2 Scheme 17 Scheme 38

Chemical Information

Calculated using the Chemistry Development Kit 2.12

Property Name	Property Value
Molecular Formula	[C₆H₁₃O₃]⁺
Molecular Weight	133.17 g/mol
Exact Mass	133.0865 Da
InChI	InChI=1S/C6H12O3/c1-7-5-3-4-6(8-2)9-5/h5-6H,3-4H2,1-2H3/p+1
InChIKey	GFISDBXSWQMOND-UHFFFAOYSA-O
SMILES	C[O+]([H])C1CCC(OC)O1
Number of Atoms	22
Number of H-Bond Acceptors	2
Number of H-Bond Donors	1
Atoms in the Largest π-System	0
XLogP	-0.1

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