4-tert-butylphenyl 2-oxo-2H-1-benzopyran-3-carboxylate
Chemical Structure Depiction of
4-tert-butylphenyl 2-oxo-2H-1-benzopyran-3-carboxylate
4-tert-butylphenyl 2-oxo-2H-1-benzopyran-3-carboxylate
Compound characteristics
| Compound ID: | 4112-1888 |
| Compound Name: | 4-tert-butylphenyl 2-oxo-2H-1-benzopyran-3-carboxylate |
| Molecular Weight: | 322.36 |
| Molecular Formula: | C20 H18 O4 |
| Smiles: | CC(C)(C)c1ccc(cc1)OC(C1=Cc2ccccc2OC1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.9146 |
| logD: | 4.9146 |
| logSw: | -4.8158 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 41.538 |
| InChI Key: | PWCAZGIYSNGDTA-UHFFFAOYSA-N |