CAS
91494-43-8 Purity
96%
91494-43-8 Purity
96%
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ACETAMIDE,N-[1-(6-ETHYNYL-PYRIDIN-2-YL)ETHYL]-
CAS
914950-80-4
Catalog Number
ACM914950804
Category
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What is the molecular formula of the compound?
The molecular formula is C11H12N2O.
What is the molecular weight of the compound?
The molecular weight is 188.23 g/mol.
What is the IUPAC name of the compound?
The IUPAC name is N-[1-(6-ethynylpyridin-2-yl)ethyl]acetamide.
What is the InChI of the compound?
The InChI is InChI=1S/C11H12N2O/c1-4-10-6-5-7-11(13-10)8(2)12-9(3)14/h1,5-8H,2-3H3,(H,12,14).
What is the InChIKey of the compound?
The InChIKey is ZMGFUPZTDYFXBF-UHFFFAOYSA-N.
What is the canonical SMILES of the compound?
The canonical SMILES is CC(C1=CC=CC(=N1)C#C)NC(=O)C.
What is the XLogP3-AA value of the compound?
The XLogP3-AA value is 0.7.
How many hydrogen bond donor counts does the compound have?
The compound has 1 hydrogen bond donor count.
How many hydrogen bond acceptor counts does the compound have?
The compound has 2 hydrogen bond acceptor counts.
How many rotatable bond counts does the compound have?
The compound has 3 rotatable bond counts.
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![ACETAMIDE,N-[2-(6-ETHYNYL-PYRIDIN-2-YL)ETHYL]-](https://resource.alfa-chemistry.com/structure/914950-55-3.gif)
