ethanenitrile; methanoic acid; pyridine; hydrate

Systemtic Name: ethanenitrile; methanoic acid; pyridine; hydrate Openeye Name: acetonitrile; formic acid; pyridine; hydrate CAS Name: acetonitrile; formic acid; pyridine; hydrate IUPAC Name: acetonitrile; formic acid; pyridine; hydrate Traditional Name: acetonitrile; formic acid; pyridine; hydrate Formula: C8H12N2O3 MolecularWeight: 184.19248

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC#N.C1=CC=NC=C1.C(=O)O.O

Isomeric SMILES

CC#N.C1=CC=NC=C1.C(=O)O.O

InChI

InChI=1S/C5H5N.C2H3N.CH2O2.H2O/c1-2-4-6-5-3-1;1-2-3;2-1-3;/h1-5H;1H3;1H,(H,2,3);1H2