946681-27-2 Purity
96%
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Specification
The molecular formula is C12H17NO.
The structure was created on March 29, 2010, and modified on December 30, 2023.
The IUPAC name is 3-(3-ethylphenoxy)pyrrolidine.
The InChI is InChI=1S/C12H17NO/c1-2-10-4-3-5-11(8-10)14-12-6-7-13-9-12/h3-5,8,12-13H,2,6-7,9H2,1H3.
The InChIKey is YQVYAONAOWNYGH-UHFFFAOYSA-N.
The Canonical SMILES is CCC1=CC(=CC=C1)OC2CCNC2.
The molecular weight is 191.27 g/mol.
There is 1 hydrogen bond donor count.
There are 2 hydrogen bond acceptor counts.
Yes, the compound is canonicalized.