2-[2-(hydroxymethyl)-5-propoxy-phenoxy]ethanenitrile

Systemtic Name: 2-[2-(hydroxymethyl)-5-propoxy-phenoxy]ethanenitrile Openeye Name: 2-[2-(hydroxymethyl)-5-propoxy-phenoxy]acetonitrile CAS Name: 2-[2-(hydroxymethyl)-5-propoxyphenoxy]acetonitrile IUPAC Name: 2-[2-(hydroxymethyl)-5-propoxyphenoxy]acetonitrile Traditional Name: 2-(2-methylol-5-propoxy-phenoxy)acetonitrile Formula: C12H15NO3 MolecularWeight: 221.2524

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC(=C(C=C1)CO)OCC#N

Isomeric SMILES

CCCOC1=CC(=C(C=C1)CO)OCC#N

InChI

InChI=1S/C12H15NO3/c1-2-6-15-11-4-3-10(9-14)12(8-11)16-7-5-13/h3-4,8,14H,2,6-7,9H2,1H3