Basic information
- Standard SMILES
CCCCCC(C(=O)OCC)c1ccc([N+](=O)[O-])cc1- InChIKey
SEYMMKAKQVAYOL-UHFFFAOYSA-N- Molecular formula
- C15H21NO4
- Average molar mass
- 279.33 g/mol
Names & identifiers
- Preferred name
- (RS)-ethyl 2-(4-nitrophenyl)-heptanoate
- IUPAC
- ethyl 2-(4-nitrophenyl)heptanoate
Names & synonyms
SEYMMKAKQVAYOL-UHFFFAOYSA-N(RS)-ethyl 2-(4-nitrophenyl)-heptanoate
Database identifiers
- PubChem CID
- 86584487
Properties
Computed structural properties
- XLogP
- 4.5
- Topological polar surface area
- 72.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 8
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 305
Related reactions
4 records
Compound notes
Loading…