CAS
94425-51-1 Purity
96%
94425-51-1 Purity
96%
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Specification
The molecular formula is C7H13NO2.
The molecular weight is 143.18 g/mol.
The IUPAC name is 3-(hydroxymethyl)-1-methylpiperidin-2-one.
The InChI is InChI=1S/C7H13NO2/c1-8-4-2-3-6(5-9)7(8)10/h6,9H,2-5H2,1H3.
The InChIKey is YWINIVAYENZCJR-UHFFFAOYSA-N.
It has 1 hydrogen bond donor count.
It has 2 hydrogen bond acceptor counts.
The topological polar surface area is 40.5 Å2.
There are 10 heavy atoms in the molecule.
Yes, the compound is canonicalized.