- InChI
- InChI=1S/C10H6O3/c11-5-7-6-13-9-4-2-1-3-8(9)10(7)12/h1-6H
- InChI Key
- FSMYWBQIMDSGQP-UHFFFAOYSA-N
- Formula
- C10H6O3
- SMILES
- O=Cc1coc2ccccc2c1=O
- Molecular Weight1
- 174.15
- CAS
- 17422-74-1
- Other Names
-
- 3-formylchromone
- 4-oxo-4H-1-benzopyran-3-carboxaldehyde
- 4H-1-Benzopyran-3-carboxaldehyde, 4-oxo-
- 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).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfusH° | 25.37 | kJ/mol | Enthalp... |
| log10WS | -6.67 | Crippen Calculated Property | |
| logPoct/wat | 1.606 | Crippen Calculated Property | |
| McVol | 121.850 | ml/mol | McGowan Calculated Property |
Similar Compounds
Find more compounds similar to Chromone-3-carboxaldehyde.
Sources
- Crippen Method
- Crippen Method
- Enthalpies of combustion and formation of 3-formylchromones
- McGowan Method
- NIST Webbook
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