91493-94-6 Purity
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The molecular formula is C11H12N2O.
The synonyms of the compound are 914950-55-3, ACETAMIDE,N-[2-(6-ETHYNYL-PYRIDIN-2-YL)ETHYL]-, and SCHEMBL3039143.
The molecular weight is 188.23 g/mol.
The IUPAC name of the compound is N-[2-(6-ethynylpyridin-2-yl)ethyl]acetamide.
The InChI of the compound is InChI=1S/C11H12N2O/c1-3-10-5-4-6-11(13-10)7-8-12-9(2)14/h1,4-6H,7-8H2,2H3,(H,12,14).
The InChIKey of the compound is SRWFZJWOAJZLRU-UHFFFAOYSA-N.
The canonical SMILES of the compound is CC(=O)NCCC1=NC(=CC=C1)C#C.
The XLogP3-AA value of the compound is 0.7.
The compound has 1 hydrogen bond donor count.
The compound has 4 rotatable bond counts.