HuagongsheHuagongshe Chemistry Print Report · For research reference only
6-[(2,6-Dimethylphenyl)carbamoyl]cyclohex-3-ene-1-carboxylic acid
N-(2,6-DIMETHYLPHENYL)-1,2,3,6-TETRAHYDROPHTHALAMIC ACID · 6-[(2,6-dimethylanilino)carbonyl]cyclohex-3-ene-1-carboxylic acid
![6-[(2,6-Dimethylphenyl)carbamoyl]cyclohex-3-ene-1-carboxylic acid molecular structure](/img/chemical/178934412.png)
Identifiers & Physical Properties
| CAS No. | 198283-90-8 |
|---|---|
| Molecular formula | C16H19NO3 |
| Average molar mass | 273.33 g/mol |
| SMILES | Cc1cccc(C)c1NC(=O)C1CC=CCC1C(=O)O |
| InChIKey | PVYMNIJDLNZWFT-UHFFFAOYSA-N |
Chemical & Physical Properties
| XLogP | 2.5 |
|---|---|
| Topological polar surface area | 66.4 |
| Hydrogen bond donors | 2 |
| Hydrogen bond acceptors | 3 |
| Rotatable bonds | 3 |
| Heavy atoms | 20 |
| Formal charge | 0 |
| Complexity | 395 |