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The molecular formula is C12H13NO2.
The molecular weight is 203.24 g/mol.
It was first created on 2009-05-29.
The IUPAC name is 4-isocyanato-4-phenyloxane.
The Canonical SMILES representation is C1COCCC1(C2=CC=CC=C2)N=C=O.
It has 3 hydrogen bond acceptor counts.
The XLogP3-AA value is 2.9.
The topological polar surface area is 38.7 angstrom squared.
It has 2 rotatable bond counts.
Yes, it is a canonicalized compound.
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