Molecule ID: 75834

IUPAC Name: (4-nitrophenyl) butanoate

Description: The molecule is a butyrate ester resulting from the formal condensation of the hydroxy group of 4-nitrophenol with the carboxy group of butyric acid. It is a butyrate ester and a C-nitro compound. It derives from a 4-nitrophenol.

SMILES: CCCC(=O)Oc1ccc([N+](=O)[O-])cc1

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

InChI: InChI=1S/C10H11NO4/c1-2-3-10(12)15-9-6-4-8(5-7-9)11(13)14/h4-7H,2-3H2,1H3

Molecular Properties:
- Polar Surface Area: 72.1 Ų
- LogP: 2.3