ethanenitrile; 2,2,2-tris(fluoranyl)ethanoic acid; hydrate

Systemtic Name: ethanenitrile; 2,2,2-tris(fluoranyl)ethanoic acid; hydrate Openeye Name: acetonitrile; 2,2,2-trifluoroacetic acid; hydrate CAS Name: acetonitrile; 2,2,2-trifluoroacetic acid; hydrate IUPAC Name: acetonitrile; 2,2,2-trifluoroacetic acid; hydrate Traditional Name: acetonitrile; 2,2,2-trifluoroacetic acid; hydrate Formula: C4H6F3NO3 MolecularWeight: 173.09055

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Descriptors Computed from Structure

Canonical SMILES:

CC#N.C(=O)(C(F)(F)F)O.O

Isomeric SMILES

CC#N.C(=O)(C(F)(F)F)O.O

InChI

InChI=1S/C2HF3O2.C2H3N.H2O/c3-2(4,5)1(6)7;1-2-3;/h(H,6,7);1H3;1H2