- InChI
- InChI=1S/C10H5NO2/c11-6-7-1-3-9-8(5-7)2-4-10(12)13-9/h1-5H
- InChI Key
- MCSNBULGQKALQK-UHFFFAOYSA-N
- Formula
- C10H5NO2
- SMILES
- N#Cc1ccc2oc(=O)ccc2c1
- Molecular Weight1
- 171.15
- log10WS : Log10 of Water solubility in mol/l.
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Inp : Non-polar retention indices.
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| log10WS | -6.78 | Crippen Calculated Property | |
| logPoct/wat | 1.665 | Crippen Calculated Property | |
| McVol | 121.660 | ml/mol | McGowan Calculated Property |
| Inp | [1579.00; 1651.00] |
|
|
| Inp | 1579.00 | NIST | |
| Inp | 1579.00 | NIST | |
| Inp | 1599.00 | NIST | |
| Inp | 1608.00 | NIST | |
| Inp | 1638.00 | NIST | |
| Inp | 1651.00 | NIST |
Similar Compounds
Find more compounds similar to 6-Cyanocoumarin.
Sources
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