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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>9</sub>H<sub>13</sub>NO<sub>2</sub>

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Extracted from

Scheme 12

Chemical Information

Calculated using the Chemistry Development Kit 2.12

Property Name	Property Value
Molecular Formula	C₉H₁₃NO₂
Molecular Weight	167.21 g/mol
Exact Mass	167.0946 Da
InChI	InChI=1S/C9H13NO2/c1-12-9(11)5-4-8-10-6-2-3-7-10/h2-3,6-7H,4-5,8H2,1H3
InChIKey	XXCAXYPWMFRHRP-UHFFFAOYSA-N
SMILES	COC(=O)CCCN1C=CC=C1
Number of Atoms	25
Number of H-Bond Acceptors	3
Number of H-Bond Donors	0
Atoms in the Largest π-System	5
XLogP	1.3

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