3-{[(2,2-dimethyl-4,6-dioxo-1,3-dioxan-5-ylidene)methyl]amino}benzoic acid
Chemical Structure Depiction of
3-{[(2,2-dimethyl-4,6-dioxo-1,3-dioxan-5-ylidene)methyl]amino}benzoic acid
3-{[(2,2-dimethyl-4,6-dioxo-1,3-dioxan-5-ylidene)methyl]amino}benzoic acid
Compound characteristics
| Compound ID: | 5202-0596 |
| Compound Name: | 3-{[(2,2-dimethyl-4,6-dioxo-1,3-dioxan-5-ylidene)methyl]amino}benzoic acid |
| Molecular Weight: | 291.26 |
| Molecular Formula: | C14 H13 N O6 |
| Smiles: | CC1(C)OC(C(=CNc2cccc(c2)C(O)=O)C(=O)O1)=O |
| Stereo: | ACHIRAL |
| logP: | 1.9624 |
| logD: | -0.9234 |
| logSw: | -2.4154 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 81.453 |
| InChI Key: | XHBNGNQWPGQHQH-UHFFFAOYSA-N |