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The Groebke–Blackburn–Bienaymé reaction in its maturity: innovation and improvements since its 21st birthday (2019–2023)

Cristina Martini, Muhammad Idham Darussalam Mardjan and Andrea Basso

Beilstein J. Org. Chem. 2024, 20, 1839–1879. https://doi.org/10.3762/bjoc.20.162

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Chemical structure C<sub>8</sub>H<sub>5</sub>NO<sub>2</sub>

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Extracted from

Scheme 7

Chemical Information

Calculated using the Chemistry Development Kit 2.12

Property Name	Property Value
Molecular Formula	C₈H₅NO₂
Molecular Weight	147.13 g/mol
Exact Mass	147.0320 Da
InChI	InChI=1S/C8H5NO2/c10-7-5-3-1-2-4-6(5)9-8(7)11/h1-4H,(H,9,10,11)
InChIKey	JXDYKVIHCLTXOP-UHFFFAOYSA-N
SMILES	C1=CC2=C(C=C1)NC(=O)C2=O
Number of Atoms	16
Number of H-Bond Acceptors	3
Number of H-Bond Donors	1
Atoms in the Largest π-System	11
XLogP	0.3

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