909772-06-1 Purity
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Specification
The molecular formula of Ethyl-4-piperidinoyl-acetate is C10H17NO3.
The molecular weight of Ethyl-4-piperidinoyl-acetate is 199.25 g/mol.
The IUPAC name of Ethyl-4-piperidinoyl-acetate is ethyl 3-oxo-3-piperidin-4-ylpropanoate.
The InChI of Ethyl-4-piperidinoyl-acetate is InChI=1S/C10H17NO3/c1-2-14-10(13)7-9(12)8-3-5-11-6-4-8/h8,11H,2-7H2,1H3.
The InChIKey of Ethyl-4-piperidinoyl-acetate is XYUGXVXOPAJQKJ-UHFFFAOYSA-N.
The canonical SMILES of Ethyl-4-piperidinoyl-acetate is CCOC(=O)CC(=O)C1CCNCC1.
There is 1 hydrogen bond donor count in Ethyl-4-piperidinoyl-acetate.
There are 4 hydrogen bond acceptor counts in Ethyl-4-piperidinoyl-acetate.
The topological polar surface area of Ethyl-4-piperidinoyl-acetate is 55.4 Ų.
Yes, Ethyl-4-piperidinoyl-acetate is a canonicalized compound.