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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>17</sub>H<sub>16</sub>O

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Extracted from

Scheme 15

Chemical Information

Calculated using the Chemistry Development Kit 2.12

Property Name	Property Value
Molecular Formula	C₁₇H₁₆O
Molecular Weight	236.31 g/mol
Exact Mass	236.1201 Da
InChI	InChI=1S/C17H16O/c18-12-17-11-15-6-5-13-1-3-14(4-2-13)7-9-16(17)10-8-15/h1-4,8,10-12H,5-7,9H2
InChIKey	BAIBHOHKSYVVCM-UHFFFAOYSA-N
SMILES	C1=C2C=CC(=C1)CCC3=CC=C(CC2)C=C3C=O
Number of Atoms	34
Number of H-Bond Acceptors	1
Number of H-Bond Donors	0
Atoms in the Largest π-System	8
XLogP	3.6

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