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The molecular formula of 3-Cyanophenyl cyclobutyl ketone is C12H11NO.
The molecular weight of 3-Cyanophenyl cyclobutyl ketone is 185.22 g/mol.
The IUPAC name of 3-Cyanophenyl cyclobutyl ketone is 3-(cyclobutanecarbonyl)benzonitrile.
The Canonical SMILES of 3-Cyanophenyl cyclobutyl ketone is C1CC(C1)C(=O)C2=CC=CC(=C2)C#N.
The InChIKey of 3-Cyanophenyl cyclobutyl ketone is ARDHMRMXPTZBMD-UHFFFAOYSA-N.
The CAS number for 3-Cyanophenyl cyclobutyl ketone is 898790-48-2.
There are 0 hydrogen bond donor counts in 3-Cyanophenyl cyclobutyl ketone.
The topological polar surface area of 3-Cyanophenyl cyclobutyl ketone is 40.9 Ų.
Yes, the compound is canonicalized.
There are 2 rotatable bond counts in 3-Cyanophenyl cyclobutyl ketone.
898790-45-9
898790-46-0
898790-47-1
898790-49-3
898790-50-6
898790-51-7
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