CAS
94109-36-1 Purity
96%
94109-36-1 Purity
96%
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The molecular formula is C13H16O3.
The molecular weight is 220.26 g/mol.
The CAS number is 94109-49-6.
The IUPAC name is ethyl 3-(4-ethylphenyl)oxirane-2-carboxylate.
The InChI is: InChI=1S/C13H16O3/c1-3-9-5-7-10(8-6-9)11-12(16-11)13(14)15-4-2/h5-8,11-12H,3-4H2,1-2H3.
There are 3 hydrogen bond acceptor counts.
The XLogP3-AA value is 2.5.
The topological polar surface area is 38.8 ?2.
There are 5 rotatable bond counts.
Yes, it is a canonicalized compound.