939-54-8 Purity
99%
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The molecular formula of Benzoic acid cyanomethyl ester is C9H7NO2.
Benzoic acid cyanomethyl ester was created on 2005-03-26 and last modified on 2023-12-30.
The IUPAC Name of Benzoic acid cyanomethyl ester is cyanomethyl benzoate.
The Canonical SMILES of Benzoic acid cyanomethyl ester is C1=CC=C(C=C1)C(=O)OCC#N.
The molecular weight of Benzoic acid cyanomethyl ester is 161.16 g/mol.
The InChI of Benzoic acid cyanomethyl ester is InChI=1S/C9H7NO2/c10-6-7-12-9(11)8-4-2-1-3-5-8/h1-5H,7H2.
Benzoic acid cyanomethyl ester has 0 Hydrogen Bond Donor Count.
The Formal Charge of Benzoic acid cyanomethyl ester is 0.
Benzoic acid cyanomethyl ester has 3 Rotatable Bond Count.
Yes, the Compound Is Canonicalized for Benzoic acid cyanomethyl ester.