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The molecular formula of Methyl 4-(cyanomethyl)benzoate is C10H9NO2.
The molecular weight of Methyl 4-(cyanomethyl)benzoate is 175.18 g/mol.
The IUPAC name of Methyl 4-(cyanomethyl)benzoate is methyl 4-(cyanomethyl)benzoate.
The InChI of Methyl 4-(cyanomethyl)benzoate is InChI=1S/C10H9NO2/c1-13-10(12)9-4-2-8(3-5-9)6-7-11/h2-5H,6H2,1H3.
The InChIKey of Methyl 4-(cyanomethyl)benzoate is XRZGMNGGCZTNGE-UHFFFAOYSA-N.
The canonical SMILES of Methyl 4-(cyanomethyl)benzoate is COC(=O)C1=CC=C(C=C1)CC#N.
The CAS number of Methyl 4-(cyanomethyl)benzoate is 76469-88-0.
The European Community (EC) number of Methyl 4-(cyanomethyl)benzoate is 616-338-2.
The DSSTox Substance ID of Methyl 4-(cyanomethyl)benzoate is DTXSID00357248.
Yes, Methyl 4-(cyanomethyl)benzoate is a canonicalized compound.
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