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The molecular formula of 3-(2-Benzoxazolyl)umbelliferyl octanoate is C24H23NO5.
The structure was created on September 13, 2005.
The computed molecular weight is 405.4 g/mol.
Some synonyms include 3-(2-Benzoxazolyl)-7-octanoyloxycoumarin, [3-(1,3-benzoxazol-2-yl)-2-oxochromen-7-yl] octanoate, and more.
The InChIKey is CKEGKXSZJKGMMN-UHFFFAOYSA-N.
It has 6 hydrogen bond acceptor counts.
The topological polar surface area is 78.6 square angstroms.
The XLogP3-AA value is 6.2.
It has 9 rotatable bond counts.
Yes, the compound is canonicalized.
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