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Tying a knot between crown ethers and porphyrins

Maksym Matviyishyn and Bartosz Szyszko

Beilstein J. Org. Chem. 2023, 19, 1630–1650. https://doi.org/10.3762/bjoc.19.120

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Chemical structure C<sub>6</sub>H<sub>16</sub>N<sub>2</sub>O<sub>2</sub>

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Extracted from

Scheme 5 Scheme 8

Chemical Information

Calculated using the Chemistry Development Kit 2.12

Property Name	Property Value
Molecular Formula	C₆H₁₆N₂O₂
Molecular Weight	148.20 g/mol
Exact Mass	148.1212 Da
InChI	InChI=1S/C6H16N2O2/c7-1-3-9-5-6-10-4-2-8/h1-8H2
InChIKey	IWBOPFCKHIJFMS-UHFFFAOYSA-N
SMILES	C(COCCOCCN)N
Number of Atoms	26
Number of H-Bond Acceptors	4
Number of H-Bond Donors	2
Atoms in the Largest π-System	0
XLogP	-1.7

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