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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>12</sub>H<sub>17</sub>NO<sub>2</sub>

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Extracted from

Scheme 3

Chemical Information

Calculated using the Chemistry Development Kit 2.12

Property Name	Property Value
Molecular Formula	C₁₂H₁₇NO₂
Molecular Weight	207.27 g/mol
Exact Mass	207.1259 Da
InChI	InChI=1S/C12H17NO2/c1-3-11(13-9-5-6-10-13)7-8-12(14)15-4-2/h3,5-6,9-11H,1,4,7-8H2,2H3
InChIKey	GHJPXLDWJOAGAY-UHFFFAOYSA-N
SMILES	C=CC(CCC(=O)OCC)N1C=CC=C1
Number of Atoms	32
Number of H-Bond Acceptors	3
Number of H-Bond Donors	0
Atoms in the Largest π-System	5
XLogP	2.5

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