955978-74-2 Purity
96%
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The molecular formula is C8H9NO3.
The synonyms for the compound are 3-Acetamido-5-acetylfuran, 95598-28-0, ACETAMIDE, N-(5-ACETYL-3-FURANYL)-, N-(5-acetylfuran-3-yl)acetamide, and N-(5-Acetyl-3-furyl)acetamide.
The molecular weight is 167.16 g/mol.
The IUPAC name of the compound is N-(5-acetylfuran-3-yl)acetamide.
The InChI is InChI=1S/C8H9NO3/c1-5(10)8-3-7(4-12-8)9-6(2)11/h3-4H,1-2H3,(H,9,11).
The InChIKey is GPLHPEIJJXDRBA-UHFFFAOYSA-N.
The canonical SMILES is CC(=O)C1=CC(=CO1)NC(=O)C.
The XLogP3-AA value is 0.2.
The hydrogen bond donor count is 1.
The hydrogen bond acceptor count is 3.