Molecule ID: 21327

IUPAC Name: 2-[(4-nitrophenoxy)methyl]oxirane

Description: The molecule is an epoxide that is oxirane substituted by a (4-nitrophenoxy)methyl group. It is an epoxide, a C-nitro compound and an aromatic ether. It derives from a 4-nitrophenol.

SMILES: O=[N+]([O-])c1ccc(OCC2CO2)cc1

SELFIES: [O][=N+1][Branch1][C][O-1][C][=C][C][=C][Branch1][Branch2][O][C][C][C][O][Ring1][Ring1][C][=C][Ring1][O]

InChI: InChI=1S/C9H9NO4/c11-10(12)7-1-3-8(4-2-7)13-5-9-6-14-9/h1-4,9H,5-6H2

Molecular Properties:
- Polar Surface Area: 67.6 Ų
- LogP: 1.4