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Strategies to access the [5-8] bicyclic core encountered in the sesquiterpene, diterpene and sesterterpene series

Cécile Alleman, Charlène Gadais, Laurent Legentil and François-Hugues Porée

Beilstein J. Org. Chem. 2023, 19, 245–281. https://doi.org/10.3762/bjoc.19.23

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Chemical structure C<sub>9</sub>H<sub>12</sub>O

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Extracted from

Scheme 32

Chemical Information

Calculated using the Chemistry Development Kit 2.12

Property Name	Property Value
Molecular Formula	C₉H₁₂O
Molecular Weight	136.19 g/mol
Exact Mass	136.0888 Da
InChI	InChI=1S/C9H12O/c1-2-3-4-8-5-6-9(10)7-8/h2,7H,1,3-6H2
InChIKey	DXFHVBQCTXIXKX-UHFFFAOYSA-N
SMILES	C=CCCC1=CC(=O)CC1
Number of Atoms	22
Number of H-Bond Acceptors	1
Number of H-Bond Donors	0
Atoms in the Largest π-System	4
XLogP	1.5

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