HuagongsheHuagongshe Chemistry Print Report · For research reference only
12,12'-[(Phenylmethylene)disulfanediyl]didodecanoic acid
![12,12'-[(Phenylmethylene)disulfanediyl]didodecanoic acid molecular structure](/img/chemical/13831703.png)
Identifiers & Physical Properties
| CAS No. | 113297-35-1 |
|---|---|
| Molecular formula | C31H52O4S2 |
| Average molar mass | 552.9 g/mol |
| Monoisotopic mass | 552.33070248 g/mol |
| SMILES | O=C(O)CCCCCCCCCCCSC(SCCCCCCCCCCCC(=O)O)c1ccccc1 |
| InChIKey | WDCWMRWNBADBJG-UHFFFAOYSA-N |
| PubChem CID | 13831703 |
| DTXSID | DTXSID90550701 |
Chemical & Physical Properties
| XLogP | 10.8 |
|---|---|
| Topological polar surface area | 125 |
| Hydrogen bond donors | 2 |
| Hydrogen bond acceptors | 6 |
| Rotatable bonds | 27 |
| Heavy atoms | 37 |
| Formal charge | 0 |
| Complexity | 499 |