9060-5-3 Purity
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The molecular formula is C12H11NO2.
The molecular weight is 201.22 g/mol.
The IUPAC name is 1-[4-(4-aminophenyl)furan-2-yl]ethanone.
The InChI is InChI=1S/C12H11NO2/c1-8(14)12-6-10(7-15-12)9-2-4-11(13)5-3-9/h2-7H,13H2,1H3.
The InChIKey is IFVSHNBIVVSRCH-UHFFFAOYSA-N.
The canonical SMILES is CC(=O)C1=CC(=CO1)C2=CC=C(C=C2)N.
The XLogP3-AA value is 1.9.
Ethanone,1-[4-(4-aminophenyl)-2-furanyl]-(9ci) has 1 hydrogen bond donor count.
Ethanone,1-[4-(4-aminophenyl)-2-furanyl]-(9ci) has 3 hydrogen bond acceptor count.
Ethanone,1-[4-(4-aminophenyl)-2-furanyl]-(9ci) has 2 rotatable bond count.
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