5-{[(3-methyl-6-oxo-7,8,9,10-tetrahydro-6H-dibenzo[b,d]pyran-1-yl)oxy]methyl}furan-2-carboxylic acid
Chemical Structure Depiction of
5-{[(3-methyl-6-oxo-7,8,9,10-tetrahydro-6H-dibenzo[b,d]pyran-1-yl)oxy]methyl}furan-2-carboxylic acid
5-{[(3-methyl-6-oxo-7,8,9,10-tetrahydro-6H-dibenzo[b,d]pyran-1-yl)oxy]methyl}furan-2-carboxylic acid
Compound characteristics
| Compound ID: | D715-0037 |
| Compound Name: | 5-{[(3-methyl-6-oxo-7,8,9,10-tetrahydro-6H-dibenzo[b,d]pyran-1-yl)oxy]methyl}furan-2-carboxylic acid |
| Molecular Weight: | 354.36 |
| Molecular Formula: | C20 H18 O6 |
| Smiles: | Cc1cc(c2C3CCCCC=3C(=O)Oc2c1)OCc1ccc(C(O)=O)o1 |
| Stereo: | ACHIRAL |
| logP: | 4.0335 |
| logD: | 0.0496 |
| logSw: | -4.2212 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 64.644 |
| InChI Key: | PJUIGDIAVQOVPT-UHFFFAOYSA-N |