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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>13</sub>H<sub>13</sub>NO<sub>2</sub>

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Extracted from

Scheme 5

Chemical Information

Calculated using the Chemistry Development Kit 2.12

Property Name	Property Value
Molecular Formula	C₁₃H₁₃NO₂
Molecular Weight	215.25 g/mol
Exact Mass	215.0946 Da
InChI	InChI=1S/C13H13NO2/c1-16-13(15)12(14-9-5-6-10-14)11-7-3-2-4-8-11/h2-10,12H,1H3
InChIKey	NEFFWSGGTRVHFF-UHFFFAOYSA-N
SMILES	COC(=O)C(C1=CC=CC=C1)N2C=CC=C2
Number of Atoms	29
Number of H-Bond Acceptors	3
Number of H-Bond Donors	0
Atoms in the Largest π-System	6
XLogP	1.8

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