Molecule ID: 12200

IUPAC Name: (2-hydroxy-3-nitrooxypropyl) nitrate

Description: The molecule is a dinitroglycerol that is glycerol in which both of the primary hydroxy groups have been converted to the corresponding nitrate estes. It has a role as a vasodilator agent. It is a dinitroglycerol and a secondary alcohol.

SMILES: O=[N+]([O-])OCC(O)CO[N+](=O)[O-]

SELFIES: [O][=N+1][Branch1][C][O-1][O][C][C][Branch1][C][O][C][O][N+1][=Branch1][C][=O][O-1]

InChI: InChI=1S/C3H6N2O7/c6-3(1-11-4(7)8)2-12-5(9)10/h3,6H,1-2H2

Molecular Properties:
- Polar Surface Area: 130.0 Ų
- LogP: 0.1