AC1L99IN
5-[bis[(2,5-dioxopyrrole-1-carbonyl)amino]methyl]-2-hydroxy-3-methoxybenzenesulfonic acid
Also Known As: 5-[bis[(2,5-dioxopyrrole-1-carbonyl)amino]methyl]-2-hydroxy-3-methoxy-benzenesulfonic acid|5-[bis[(2,5-dioxopyrrole-1-carbonyl)amino]methyl]-2-hydroxy-3-methoxybenzenesulfonic acid|5-(Bis(((2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)carbonyl)amino)methyl)-2-hydroxy-3-methoxybenzenesulfonic acid
CAS: 6959-99-5
| Molecular Formula | C18H14N4O11S |
|---|---|
| Molecular Weight | 494.03796 g/mol |
| LogP | -0.4 |
| Topological Polar Surface Area | 225.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 5 |
| Exact Mass | 494.03796 |
| Monoisotopic Mass | 494.03796 |
| Heavy Atoms | 34 |
| Complexity | 1020.0 |
Chemical Identifiers
| CAS Number | 6959-99-5 |
|---|---|
| SMILES | COC1=C(C(=CC(=C1)C(NC(=O)N2C(=O)C=CC2=O)NC(=O)N3C(=O)C=CC3=O)S(=O)(=O)O)O |
| InChIKey | QLUKTRGZCAKJFI-UHFFFAOYSA-N |
Product Overview
AC1L99IN (CAS 6959-99-5), with molecular formula C18H14N4O11S and molecular weight 494.03796 g/mol. IUPAC: 5-[bis[(2,5-dioxopyrrole-1-carbonyl)amino]methyl]-2-hydroxy-3-methoxybenzenesulfonic acid.
Safety Data Sheet (MSDS / SDS)
View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.
View MSDS →
AC1L99IN is a custom synthesis product. We offer services from milligram to kilogram scale.
Request a Quote »