1-nitropropane-1,1-diol dihydrate

Systemtic Name: 1-nitropropane-1,1-diol dihydrate Openeye Name: 1-nitropropane-1,1-diol dihydrate CAS Name: 1-nitropropane-1,1-diol dihydrate IUPAC Name: 1-nitropropane-1,1-diol dihydrate Traditional Name: 1-nitropropane-1,1-diol dihydrate Formula: C3H11NO6 MolecularWeight: 157.12254

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Descriptors Computed from Structure

Canonical SMILES:

CCC([N+](=O)[O-])(O)O.O.O

Isomeric SMILES

CCC([N+](=O)[O-])(O)O.O.O

InChI

InChI=1S/C3H7NO4.2H2O/c1-2-3(5,6)4(7)8;;/h5-6H,2H2,1H3;2*1H2