2-methylpentanedinitrile; 3-oxidanylpropanenitrile

Systemtic Name: 2-methylpentanedinitrile; 3-oxidanylpropanenitrile Openeye Name: 3-hydroxypropanenitrile; 2-methylpentanedinitrile CAS Name: 3-hydroxypropanenitrile; 2-methylpentanedinitrile IUPAC Name: 3-hydroxypropanenitrile; 2-methylpentanedinitrile Traditional Name: 3-hydroxypropionitrile; 2-methylglutaronitrile Formula: C9H13N3O MolecularWeight: 179.21902

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C6H8N2.C3H5NO/c1-6(5-8)3-2-4-7;4-2-1-3-5/h6H,2-3H2,1H3;5H,1,3H2