CAS
96219-90-8 Purity
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96219-90-8 Purity
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The molecular formula is C11H11NO.
The molecular weight is 173.21 g/mol.
The IUPAC name is 3-(4-ethylphenyl)-3-oxopropanenitrile.
The InChIKey is WIHQQWBHEUCYCJ-UHFFFAOYSA-N.
It has 2 hydrogen bond acceptor counts.
The exact mass is 173.084063974 g/mol.
The topological polar surface area is 40.9 Ų.
There are 13 heavy atoms present.
No, it does not have any defined atom stereocenter count.
Yes, it is considered a canonicalized compound.