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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>12</sub>O<sub>3</sub>

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Extracted from

Scheme 19

Chemical Information

Calculated using the Chemistry Development Kit 2.12

Property Name	Property Value
Molecular Formula	C₁₁H₁₂O₃
Molecular Weight	192.21 g/mol
Exact Mass	192.0786 Da
InChI	InChI=1S/C11H12O3/c1-2-14-11(13)8-10(12)9-6-4-3-5-7-9/h3-7H,2,8H2,1H3
InChIKey	GKKZMYDNDDMXSE-UHFFFAOYSA-N
SMILES	CCOC(=O)CC(=O)C1=CC=CC=C1
Number of Atoms	26
Number of H-Bond Acceptors	3
Number of H-Bond Donors	0
Atoms in the Largest π-System	8
XLogP	1.8

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