94239-06-2 Purity
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Specification
The molecular formula is C9H12ClNO2.
The molecular weight is 201.65 g/mol.
Some synonyms include Phenylephrone Hydrochloride and 1-(3-hydroxyphenyl)-2-(methylamino)ethanone.
The IUPAC name is 1-(3-hydroxyphenyl)-2-(methylamino)ethanone; hydrochloride.
The InChI key is DEOGEZWYKPQJLP-UHFFFAOYSA-N.
The canonical SMILES representation is CNCC(=O)C1=CC(=CC=C1)O.Cl.
The CAS number is 94240-17-2.
It has 3 hydrogen bond donor counts.
The topological polar surface area is 49.3Å^2.
Yes, it is a canonicalized compound.