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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>9</sub>H<sub>8</sub>O<sub>4</sub>

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Extracted from

Scheme 35

Chemical Information

Calculated using the Chemistry Development Kit 2.12

Property Name	Property Value
Molecular Formula	C₉H₈O₄
Molecular Weight	180.16 g/mol
Exact Mass	180.0423 Da
InChI	InChI=1S/C9H8O4/c10-5-7-2-1-3-8(4-7)13-6-9(11)12/h1-5H,6H2,(H,11,12)
InChIKey	KHBBQMHTRDEPCR-UHFFFAOYSA-N
SMILES	C1=CC(=CC(=C1)C=O)OCC(=O)O
Number of Atoms	21
Number of H-Bond Acceptors	4
Number of H-Bond Donors	1
Atoms in the Largest π-System	9
XLogP	0.1

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