HuagongsheHuagongshe Chemistry Print Report · For research reference only
Acid Red 13
Einecs 286-600-5 · 4-[(2-hydroxy-6-sulpho-1-naphthyl)azo]naphthalene-1-sulphonic acid, sodium salt
Identifiers & Physical Properties
| CAS No. | 2302-96-7 |
|---|---|
| Molecular formula | C20H12N2Na2O7S2 |
| Average molar mass | 502.4 g/mol |
| Monoisotopic mass | 501.98813128 g/mol |
| SMILES | O=S(=O)([O-])c1ccc2c(N=Nc3ccc(S(=O)(=O)[O-])c4ccccc34)c(O)ccc2c1.[Na+].[Na+] |
| InChIKey | YCDHVKWTZBVDKD-UHFFFAOYSA-L |
| PubChem CID | 16813 |
| ChEBI | CHEBI:180880 |
| EC No. | 218-958-5 |
| DTXSID | DTXSID3062314 |
Chemical & Physical Properties
| Topological polar surface area | 176 |
|---|---|
| Hydrogen bond donors | 1 |
| Hydrogen bond acceptors | 9 |
| Rotatable bonds | 2 |
| Heavy atoms | 33 |
| Formal charge | 0 |
| Complexity | 854 |