Acid Red 186 free acid
3-hydroxy-4-[[5-methyl-3-oxo-2-(3-sulfophenyl)-1H-pyrazol-4-yl]diazenyl]naphthalene-1-sulfonic acid
| Molecular Formula | C20H16N4O8S2 |
|---|---|
| Molecular Weight | 504.5 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 203.0 A2 |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 5 |
| Exact Mass | 504.04095 |
| Heavy Atoms | 34 |
| Complexity | 1080.0 |
Chemical Identifiers
| CAS Number | 50335-05-2 |
|---|---|
| SMILES | CC1=C(C(=O)N(N1)C2=CC(=CC=C2)S(=O)(=O)O)N=NC3=C(C=C(C4=CC=CC=C43)S(=O)(=O)O)O |
| InChIKey | WXWWCUIMZSEWIP-UHFFFAOYSA-N |
📖 Product Overview
Acid Red 186 free acid (CAS: 50335-05-2) is a chemical compound with molecular formula C20H16N4O8S2 and molecular weight 504.5 g/mol. Its IUPAC systematic name is 3-hydroxy-4-[[5-methyl-3-oxo-2-(3-sulfophenyl)-1H-pyrazol-4-yl]diazenyl]naphthalene-1-sulfonic acid.
WXWWCUIMZSEWIP-UHFFFAOYSA-N.
SMILES: CC1=C(C(=O)N(N1)C2=CC(=CC=C2)S(=O)(=O)O)N=NC3=C(C=C(C4=CC=CC=C43)S(=O)(=O)O)O.
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