CAS
6797-79-1 Purity
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6797-79-1 Purity
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Specification
The molecular formula is C8H12ClNO2.
The molecular weight is 189.64 g/mol.
The IUPAC name is 4-(aminomethyl)-2-methoxyphenol hydrochloride.
The InChI is InChI=1S/C8H11NO2.ClH/c1-11-8-4-6(5-9)2-3-7(8)10;/h2-4,10H,5,9H2,1H3;1H.
The InChIKey is PUDMGOSXPCMUJZ-UHFFFAOYSA-N.
The canonical SMILES is COC1=C(C=CC(=C1)CN)O.Cl.
The CAS number is 7149-10-2.
It has 3 hydrogen bond donor counts.
The topological polar surface area is 55.5Ų.
Yes, it is a canonicalized compound.