ethanenitrile; 2-(hydroxymethyl)-3-oxidanyl-propanenitrile

Systemtic Name: ethanenitrile; 2-(hydroxymethyl)-3-oxidanyl-propanenitrile Openeye Name: acetonitrile; 3-hydroxy-2-(hydroxymethyl)propanenitrile CAS Name: acetonitrile; 3-hydroxy-2-(hydroxymethyl)propanenitrile IUPAC Name: acetonitrile; 3-hydroxy-2-(hydroxymethyl)propanenitrile Traditional Name: acetonitrile; 3-hydroxy-2-methylol-propionitrile Formula: C8H13N3O2 MolecularWeight: 183.20772

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Descriptors Computed from Structure

Canonical SMILES:

CC#N.CC#N.C(C(CO)C#N)O

Isomeric SMILES

CC#N.CC#N.C(C(CO)C#N)O

InChI

InChI=1S/C4H7NO2.2C2H3N/c5-1-4(2-6)3-7;2*1-2-3/h4,6-7H,2-3H2;2*1H3