HuagongsheHuagongshe Chemistry Print Report · For research reference only
1-Carboxy-7-isopropylazulene
Identifiers & Physical Properties
| Molecular formula | C14H14O2 |
|---|---|
| Average molar mass | 214.26 g/mol |
| Monoisotopic mass | 214.09937969 g/mol |
| SMILES | CC(C)c1cccc2ccc(C(=O)O)c-2c1 |
| InChIKey | DTMKXNXQOLTSDE-UHFFFAOYSA-N |
| PubChem CID | 14515744 |
Chemical & Physical Properties
| XLogP | 3.6 |
|---|---|
| Topological polar surface area | 37.3 |
| Hydrogen bond donors | 1 |
| Hydrogen bond acceptors | 2 |
| Rotatable bonds | 2 |
| Heavy atoms | 16 |
| Formal charge | 0 |
| Complexity | 259 |