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The PubChem CID of 3,4-Methylenedioxybenzyl cyanide is 78178.
The molecular formula of 3,4-Methylenedioxybenzyl cyanide is C9H7NO2.
The molecular weight of 3,4-Methylenedioxybenzyl cyanide is 161.16 g/mol.
The IUPAC name of 3,4-Methylenedioxybenzyl cyanide is 2-(1,3-benzodioxol-5-yl)acetonitrile.
The InChI of 3,4-Methylenedioxybenzyl cyanide is InChI=1S/C9H7NO2/c10-4-3-7-1-2-8-9(5-7)12-6-11-8/h1-2,5H,3,6H2.
The InChIKey of 3,4-Methylenedioxybenzyl cyanide is ZQPBOYASBNAXOZ-UHFFFAOYSA-N.
The canonical SMILES of 3,4-Methylenedioxybenzyl cyanide is C1OC2=C(O1)C=C(C=C2)CC#N.
The CAS number of 3,4-Methylenedioxybenzyl cyanide is 4439-02-5.
3,4-Methylenedioxybenzyl cyanide has 3 hydrogen bond acceptor counts.
Yes, 3,4-Methylenedioxybenzyl cyanide is a canonicalized compound.
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