959071-91-1 Purity
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The molecular formula is C11H12N2O.
The synonyms are 959092-15-0, ACETAMIDE,N-[2-(4-CYANOPHENYL)ETHYL]-, Phenethanamine, N-acetyl-4-cyano-, QTWCQQWGWKIVCM-UHFFFAOYSA-N, N-[2-(4-Cyanophenyl)ethyl]acetamide.
The computed molecular weight is 188.23 g/mol.
It was created on March 27, 2005.
It was last modified on December 30, 2023.
The IUPAC name is N-[2-(4-cyanophenyl)ethyl]acetamide.
The InChI is InChI=1S/C11H12N2O/c1-9(14)13-7-6-10-2-4-11(8-12)5-3-10/h2-5H,6-7H2,1H3,(H,13,14).
The InChIKey is QTWCQQWGWKIVCM-UHFFFAOYSA-N.
The canonical SMILES is CC(=O)NCCC1=CC=C(C=C1)C#N.
It has 1 hydrogen bond donor count.