CAS
1849-02-1 Purity
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1849-02-1 Purity
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Specification
The molecular formula is C10H9NO2.
The molecular weight is 175.18 g/mol.
The IUPAC Name is 2-(2,3-dihydro-1,4-benzodioxin-3-yl)acetonitrile.
The InChIKey is PWZFEIJALHLRKF-UHFFFAOYSA-N.
It has 3 hydrogen bond acceptors.
The topological polar surface area is 42.2 Å^2.
It contains 1 undefined atom stereocenter.
It has 1 rotatable bond.
The formal charge is 0.
Yes, it is canonicalized.