- InChI
- InChI=1S/C7H7NO2/c1-6(9)7-3-2-4-8(10)5-7/h2-5H,1H3
- InChI Key
- AZFMFGIMDGBJRR-UHFFFAOYSA-N
- Formula
- C7H7NO2
- SMILES
- CC(=O)c1ccc[n+]([O-])c1
- Molecular Weight1
- 137.14
- CAS
- 14188-94-4
- Other Names
-
- Ethanone, 1-(1-oxido-3-pyridinyl)-
- 1-(1-oxidopyridin-3-yl)ethanone
- PAff : Proton affinity (kJ/mol).
- BasG : Gas basicity (kJ/mol).
- log10WS : Log10 of Water solubility in mol/l.
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| PAff | 913.10 | kJ/mol | NIST |
| BasG | 880.60 | kJ/mol | NIST |
| log10WS | -3.66 | Crippen Calculated Property | |
| logPoct/wat | 0.523 | Crippen Calculated Property | |
| McVol | 103.150 | ml/mol | McGowan Calculated Property |
Similar Compounds
Find more compounds similar to 1-(3-pyridinyl-1-oxide)ethanone.
Sources
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