Basic information
- Standard SMILES
O=C([O-])CCCc1ccccc1[N+](=O)[O-]- InChIKey
BMGIMCRPRTWLTE-UHFFFAOYSA-M- Molecular formula
- C10H10NO4-
- Average molar mass
- 208.19 g/mol
Names & identifiers
- Preferred name
- 4-(2-Nitrophenyl)butyrate
- IUPAC
- 4-(2-nitrophenyl)butanoate
Names & synonyms
4-(2-nitrophenyl)butyrateBMGIMCRPRTWLTE-UHFFFAOYSA-M
Database identifiers
- PubChem CID
- 21299809
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 86 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 15
- Formal charge
- -1
- Complexity
- 231
Related reactions
1 records
Compound notes
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