3-methyl-1-oxo-3,4-dihydro-1H-2-benzopyran-3-carboxylic acid
Chemical Structure Depiction of
3-methyl-1-oxo-3,4-dihydro-1H-2-benzopyran-3-carboxylic acid
3-methyl-1-oxo-3,4-dihydro-1H-2-benzopyran-3-carboxylic acid
Compound characteristics
| Compound ID: | 8014-9137 |
| Compound Name: | 3-methyl-1-oxo-3,4-dihydro-1H-2-benzopyran-3-carboxylic acid |
| Molecular Weight: | 206.19 |
| Molecular Formula: | C11 H10 O4 |
| Smiles: | CC1(Cc2ccccc2C(=O)O1)C(O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.4391 |
| logD: | -2.3631 |
| logSw: | -1.8889 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 48.768 |
| InChI Key: | XHMJBIRHDOBCBN-NSHDSACASA-N |