- InChI
- InChI=1S/C9H6O3/c10-7-2-3-8-6(5-7)1-4-9(11)12-8/h1-5,10H
- InChI Key
- CJIJXIFQYOPWTF-UHFFFAOYSA-N
- Formula
- C9H6O3
- SMILES
- O=c1ccc2cc(O)ccc2o1
- Molecular Weight1
- 162.14
- CAS
- 6093-68-1
- Other Names
-
- 6-Hydroxycoumarin
- 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 | -5.98 | Crippen Calculated Property | |
| logPoct/wat | 1.499 | Crippen Calculated Property | |
| McVol | 112.060 | ml/mol | McGowan Calculated Property |
| Inp | [1760.00; 1849.00] |
|
|
| Inp | 1760.00 | NIST | |
| Inp | 1771.00 | NIST | |
| Inp | 1770.00 | NIST | |
| Inp | 1840.00 | NIST | |
| Inp | 1849.00 | NIST |
Similar Compounds
Find more compounds similar to 2H-1-Benzopyran-2-one, 6-hydroxy-.
Sources
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