7-Oxido-1,2,3,10-tetrahydrocyclopenta[c][1,8]phenanthrolin-7-ium-11-one
Basic information
- CAS
66262-77-9- Standard SMILES
O=c1[nH]c2c(ccc3c[n+]([O-])ccc32)c2c1CCC2- InChIKey
AVYMMLYKKMVZIZ-UHFFFAOYSA-N- Molecular formula
- C15H12N2O2
- Average molar mass
- 252.27 g/mol
- Monoisotopic mass
- 252.08987763
Names & identifiers
- Preferred name
- 7-Oxido-1,2,3,10-tetrahydrocyclopenta[c][1,8]phenanthrolin-7-ium-11-one
- IUPAC
- 7-oxido-1,2,3,10-tetrahydrocyclopenta[c][1,8]phenanthrolin-7-ium-11-one
Names & synonyms
NSC26595866262-77-9DTXSID20313023NSC-2659582-Oxo-5,7,8,9-tetrahydro-6H-2lambda~5~-cyclopenta[c][1,8]phenanthrolin-6-one
Database identifiers
- CAS
66262-77-9- PubChem CID
- 319903
- DTXSID
DTXSID20313023
Properties
Computed structural properties
- XLogP
- 0.9
- Topological polar surface area
- 54.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 445
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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