Basic information
- Standard SMILES
O=CCCC/C=C(\Cc1ccccc1)[N+](=O)[O-]- InChIKey
IPCMFLGUNMKXIK-UKTHLTGXSA-N- Molecular formula
- C13H15NO3
- Average molar mass
- 233.26 g/mol
- Monoisotopic mass
- 233.10519334
Names & identifiers
- Preferred name
- (E)-6-nitro-7-phenylhept-5-enal
- IUPAC
- (E)-6-nitro-7-phenylhept-5-enal
Names & synonyms
SCHEMBL2443948IPCMFLGUNMKXIK-UKTHLTGXSA-N(E)-6-nitro-7-phenylhept-5-enal
Database identifiers
- PubChem CID
- 58434580
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 62.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 275
Related reactions
1 records
Compound notes
Loading…