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The molecular formula is C14H23NO2.
The molecular weight is 237.34 g/mol.
The IUPAC name is 2-(2-ethylcycloheptyl)ethyl 2-cyanoacetate.
The InChI is InChI=1S/C14H23NO2/c1-2-12-6-4-3-5-7-13(12)9-11-17-14(16)8-10-15/h12-13H,2-9,11H2,1H3.
The InChIKey is MWRFTVDLCGREAK-UHFFFAOYSA-N.
It has 0 hydrogen bond donor counts.
The XLogP3-AA value is 4.4.
It has 6 rotatable bond counts.
Yes, it is considered canonicalized.
The topological polar surface area is 50.1 Ų.
93841-14-6
93841-15-7
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93841-18-0
93841-21-5
93841-23-7
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