- InChI
- InChI=1S/C9H6O3/c10-7-3-1-6-2-4-9(11)12-8(6)5-7/h1-5,10H
- InChI Key
- ORHBXUUXSCNDEV-UHFFFAOYSA-N
- Formula
- C9H6O3
- SMILES
- O=c1ccc2ccc(O)cc2o1
- Molecular Weight1
- 162.14
- CAS
- 93-35-6
- Other Names
-
- 2H-1-Benzopyran-2-one, 7-hydroxy-
- 7 HC
- 7-Hydroxy-2-chromenone
- 7-Oxycoumarin
- 7-hydroxy-2H-chromen-2-one
- Coumarin, 7-hydroxy-
- Hydrangin
- Hydrangine
- NSC 19790
- Skimmetin
- Skimmetine
- Umbelliferon
- umbelliferone
- ΔfusH° : Enthalpy of fusion at standard conditions (kJ/mol).
- 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 |
|---|---|---|---|
| ΔfusH° | 31.25 | kJ/mol | Calorim... |
| log10WS | -5.98 | Crippen Calculated Property | |
| logPoct/wat | 1.499 | Crippen Calculated Property | |
| McVol | 112.060 | ml/mol | McGowan Calculated Property |
| Inp | [1789.00; 1852.50] |
|
|
| Inp | 1789.00 | NIST | |
| Inp | 1797.00 | NIST | |
| Inp | 1795.00 | NIST | |
| Inp | 1852.50 | NIST | |
| Inp | 1828.00 | NIST | |
| Inp | 1836.00 | NIST | |
| Inp | 1828.00 | NIST | |
| Inp | 1828.00 | NIST |
Similar Compounds
Find more compounds similar to 7-Hydroxycoumarin.
Sources
- Crippen Method
- Crippen Method
- Calorimetric and computational study of 7-hydroxycoumarin
- Equilibrium partitioning of drug molecules between aqueous and amino acid ester-based ionic liquids
- McGowan Method
- NIST Webbook
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