3-methyl-4-(prop-2-en-1-yl)-3,4-dihydro-2H-1,4-benzoxazine-6-carboxylic acid
Chemical Structure Depiction of
3-methyl-4-(prop-2-en-1-yl)-3,4-dihydro-2H-1,4-benzoxazine-6-carboxylic acid
3-methyl-4-(prop-2-en-1-yl)-3,4-dihydro-2H-1,4-benzoxazine-6-carboxylic acid
Compound characteristics
| Compound ID: | FF01-2022 |
| Compound Name: | 3-methyl-4-(prop-2-en-1-yl)-3,4-dihydro-2H-1,4-benzoxazine-6-carboxylic acid |
| Molecular Weight: | 233.26 |
| Molecular Formula: | C13 H15 N O3 |
| Smiles: | CC1COc2ccc(cc2N1CC=C)C(O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.8351 |
| logD: | 1.022 |
| logSw: | -3.1097 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 39.013 |
| InChI Key: | VUEIFSKKRQIAJI-VIFPVBQESA-N |