CAS
93966-78-0 Purity
98 atom % D
93966-78-0 Purity
98 atom % D
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The molecular formula is C9H9NO2S.
It was created on February 8, 2007.
The molecular weight is 195.24 g/mol.
The IUPAC name is 2-(1,3-benzothiazol-2-yloxy)ethanol.
The InChI is InChI=1S/C9H9NO2S/c11-5-6-12-9-10-7-3-1-2-4-8(7)13-9/h1-4,11H,5-6H2.
The Canonical SMILES is C1=CC=C2C(=C1)N=C(S2)OCCO.
It has 4 hydrogen bond acceptors.
The XLogP3 value is 1.9.
Yes, it is a canonicalized compound.
The topological polar surface area is 70.6 Å2.