CAS
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Specification
The molecular formula is C9H14ClNO2.
The molecular weight is 203.66 g/mol.
The IUPAC name is 2-(4-methoxyphenoxy)ethylazanium chloride.
The InChI is InChI=1S/C9H13NO2.ClH/c1-11-8-2-4-9(5-3-8)12-7-6-10;/h2-5H,6-7,10H2,1H3;1H.
The InChIKey is YCFXTJDWVNEVEX-UHFFFAOYSA-N.
The canonical SMILES is COC1=CC=C(C=C1)OCC[NH3+].[Cl-].
The hydrogen bond donor count is 1.
The hydrogen bond acceptor count is 3.
There are 4 rotatable bonds.
The heavy atom count is 13.