Basic information
- Standard SMILES
O=c1ccccc(Cc2ccccc2[N+](=O)[O-])c1O- InChIKey
HOJQSUBDFKNVKD-UHFFFAOYSA-N- Molecular formula
- C14H11NO4
- Average molar mass
- 257.24 g/mol
- Monoisotopic mass
- 257.06880783
Names & identifiers
- Preferred name
- 3-(2-Nitrobenzyl)tropolone
- IUPAC
- 2-hydroxy-3-[(2-nitrophenyl)methyl]cyclohepta-2,4,6-trien-1-one
Names & synonyms
3-(2-Nitrobenzyl)tropoloneDTXSID0013551472-Hydroxy-7-(2-nitrobenzyl)-2,4,6-cycloheptatrien-1-one
Database identifiers
- PubChem CID
- 13764751
- DTXSID
DTXSID001355147- Nikkaji
- J504.802H
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 83.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 470
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…