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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>13</sub>N

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Extracted from

Scheme 11 Scheme 18 Scheme 23 Scheme 32

Chemical Information

Calculated using the Chemistry Development Kit 2.12

Property Name	Property Value
Molecular Formula	C₁₂H₁₃N
Molecular Weight	171.24 g/mol
Exact Mass	171.1048 Da
InChI	InChI=1S/C12H13N/c1-10-6-5-7-11(2)12(10)13-8-3-4-9-13/h3-9H,1-2H3
InChIKey	BRHOVWCDYRJKAW-UHFFFAOYSA-N
SMILES	CC1=CC=CC(=C1N2C=CC=C2)C
Number of Atoms	26
Number of H-Bond Acceptors	1
Number of H-Bond Donors	0
Atoms in the Largest π-System	11
XLogP	2.4

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