CAS
948294-65-3 Purity
96%
948294-65-3 Purity
96%
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The molecular formula is C8H9NO2.
The molecular weight is 151.16 g/mol.
The IUPAC name is 1-(4-aminooxyphenyl)ethanone.
The InChI is InChI=1S/C8H9NO2/c1-6(10)7-2-4-8(11-9)5-3-7/h2-5H,9H2,1H3.
The InChIKey is YWGIRRXQOHZIQU-UHFFFAOYSA-N.
The canonical SMILES is CC(=O)C1=CC=C(C=C1)ON.
It has 1 hydrogen bond donor count.
It has 3 hydrogen bond acceptor counts.
The topological polar surface area is 52.3 Ų.
Yes, the compound is canonicalized.