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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>5</sub>H<sub>7</sub>NO<sub>2</sub>

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Extracted from

Scheme 24

Chemical Information

Calculated using the Chemistry Development Kit 2.12

Property Name	Property Value
Molecular Formula	C₅H₇NO₂
Molecular Weight	113.11 g/mol
Exact Mass	113.0477 Da
InChI	InChI=1S/C5H7NO2/c1-3-8-5(7)4-6-2/h3-4H2,1H3
InChIKey	FPULFENIJDPZBX-UHFFFAOYSA-N
SMILES	CCOC(=O)C[N+]#[C-]
Number of Atoms	15
Number of H-Bond Acceptors	2
Number of H-Bond Donors	0
Atoms in the Largest π-System	3
XLogP	-0.4

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