- InChI
- InChI=1S/C5H4N2O2/c8-7(9)5-2-1-3-6-4-5/h1-4H
- InChI Key
- QLILRKBRWXALIE-UHFFFAOYSA-N
- Formula
- C5H4N2O2
- SMILES
- O=[N+]([O-])c1cccnc1
- Molecular Weight1
- 124.10
- CAS
- 2530-26-9
- IE : Ionization energy (eV).
- log10WS : Log10 of Water solubility in mol/l.
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Tboil : Normal Boiling Point Temperature (K).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| IE | 10.30 ± 0.10 | eV | NIST |
| log10WS | -1.89 | Crippen Calculated Property | |
| logPoct/wat | 0.990 | Crippen Calculated Property | |
| McVol | 84.950 | ml/mol | McGowan Calculated Property |
| Tboil | 489.20 | K | NIST |
Similar Compounds
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Sources
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