- InChI
- InChI=1S/C9H9N3O4/c1-5-8(12(14)15)7(4-16-2)6(3-10)9(13)11-5/h4H2,1-2H3,(H,11,13)
- InChI Key
- FDZPYSHPLURJEA-UHFFFAOYSA-N
- Formula
- C9H9N3O4
- SMILES
-
COCc1c(C#N)c(O)nc(C)c1[N+](=O)
[O-] - Molecular Weight1
- 223.19
- CAS
- 6281-75-0
- Cp,solid : Solid phase heat capacity (J/mol×K).
- log10WS : Log10 of Water solubility in mol/l.
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- S°solid,1 bar : Solid phase molar entropy at standard conditions (J/mol×K).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| log10WS | -2.65 | Crippen Calculated Property | |
| logPoct/wat | 1.022 | Crippen Calculated Property | |
| McVol | 154.430 | ml/mol | McGowan Calculated Property |
| S°solid,1 bar | 323.69 | J/mol×K | NIST |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,solid | 275.80 | J/mol×K | 298.15 | NIST |
Similar Compounds
Find more compounds similar to 3-Cyano-4-methoxymethyl-5-nitro-6-methyl-(2-pyridone).
Sources
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