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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>11</sub>H<sub>8</sub>N<sub>2</sub>

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Extracted from

Scheme 8

Chemical Information

Calculated using the Chemistry Development Kit 2.12

Property Name	Property Value
Molecular Formula	C₁₁H₈N₂
Molecular Weight	168.20 g/mol
Exact Mass	168.0687 Da
InChI	InChI=1S/C11H8N2/c12-9-10-5-1-2-6-11(10)13-7-3-4-8-13/h1-8H
InChIKey	ZCTJXWVTLAHGAJ-UHFFFAOYSA-N
SMILES	C1=CC(=C(C=C1)N2C=CC=C2)C#N
Number of Atoms	21
Number of H-Bond Acceptors	2
Number of H-Bond Donors	0
Atoms in the Largest π-System	13
XLogP	1.7

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