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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>9</sub>N<sub>3</sub>

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Extracted from

Scheme 34

Chemical Information

Calculated using the Chemistry Development Kit 2.12

Property Name	Property Value
Molecular Formula	C₉H₉N₃
Molecular Weight	159.19 g/mol
Exact Mass	159.0797 Da
InChI	InChI=1S/C9H9N3/c1-8-4-5-10-9(11-8)12-6-2-3-7-12/h2-7H,1H3
InChIKey	ZAAOSNIZGDWMNZ-UHFFFAOYSA-N
SMILES	CC1=CC=NC(=N1)N2C=CC=C2
Number of Atoms	21
Number of H-Bond Acceptors	3
Number of H-Bond Donors	0
Atoms in the Largest π-System	11
XLogP	0.4

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