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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>11</sub>H<sub>13</sub>NO<sub>2</sub>

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Extracted from

Scheme 23

Chemical Information

Calculated using the Chemistry Development Kit 2.12

Property Name	Property Value
Molecular Formula	C₁₁H₁₃NO₂
Molecular Weight	191.23 g/mol
Exact Mass	191.0946 Da
InChI	InChI=1S/C11H13NO2/c1-12-10-7-5-4-6-9(10)8-11(13-2)14-3/h4-7,11H,8H2,2-3H3
InChIKey	XSTAOBURMHGXDG-UHFFFAOYSA-N
SMILES	[C-]#[N+]C1=C(C=CC=C1)CC(OC)OC
Number of Atoms	27
Number of H-Bond Acceptors	2
Number of H-Bond Donors	0
Atoms in the Largest π-System	8
XLogP	0.7

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