4-Nitro-6,7-dihydro-5H-cyclopenta[b]pyridine 1-oxide
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Basic information
- CAS
126259-73-2- Standard SMILES
O=[N+]([O-])c1cc[n+]([O-])c2c1CCC2- InChIKey
RPQFEINGIVWGOG-UHFFFAOYSA-N- Molecular formula
- C8H8N2O3
- Average molar mass
- 180.16 g/mol
- Monoisotopic mass
- 180.05349212
Names & identifiers
- Preferred name
- 4-Nitro-6,7-dihydro-5H-cyclopenta[b]pyridine 1-oxide
- IUPAC
- 4-nitro-1-oxido-6,7-dihydro-5H-cyclopenta[b]pyridin-1-ium
- English name
- 4-Nitro-6,7-dihydro-5H-cyclopenta[b]pyridine 1-oxide
- Molecular formula
- C8H8N2O3
- Molecular weight
- 180.16
Names & synonyms
4-Nitro-6,7-dihydro-5H-cyclopenta[b]pyridine 1-oxide126259-73-24-nitro-1-oxido-6,7-dihydro-5H-cyclopenta[b]pyridin-1-iumSCHEMBL4733588AKOS022182036DB-3679074-Nitro-6,7-dihydro-5H-cyclopenta[b]pyridine1-oxide5H-Cyclopenta[b]pyridine, 6,7-dihydro-4-nitro-, 1-oxide
Database identifiers
- CAS
126259-73-2- PubChem CID
- 10726052
Properties
Computed structural propertiesFilling in
- XLogP
- 0.4
- Topological polar surface area
- 71.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 216
Physicochemical properties
- Boiling point
- 439.5 · 439.5±45.0 °C(Predicted)
- Density
- 1.53 · 1.53±0.1 g/cm3(Predicted)
- pka
- -1.05 · -1.05±0.20(Predicted)
Chemistry & industry
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