Catalog NumberACM15305074-1
CAS Number15305-07-4
CategoryPolymerization Inhibitors
| Typical physical and chemical properties | |
|---|---|
| Synonyms | N-Nitroso-N-phenylhydroxylamine aluminum salt |
| IUPAC Name | Aluminum;(Z)-oxido-oxidoimino-phenylazanium |
| Molecular Weight | 438.33 |
| Molecular Formula | C18H15AlN6O6 |
| Canonical SMILES | C1=CC=C(C=C1)[N+](=N[O-])[O-].C1=CC=C(C=C1)[N+](=N[O-])[O-].C1=CC=C(C=C1)[N+](=N[O-])[O-].[Al+3] |
| InChI | InChI=1S/3C6H6N2O2.Al/c3*9-7-8(10)6-4-2-1-3-5-6;/h3*1-5,9H;/q;+3/p-3/b3*8-7-; |
| InChIKey | MKSISPKJEMTIGI-LWTKGLMZSA-K |
| Melting Point | 160-172 °C |
| Purity | 99%+ |
| Complexity | 130 |
| Covalently-Bonded Unit Count | 4 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 3 |
| Exact Mass | 438.0868456 |
| Formal Charge | 0 |
| Heavy Atom Count | 31 |
| Hydrogen Bond Acceptor Count | 9 |
| Hydrogen Bond Donor Count | 0 |
| Isomeric SMILES | C1=CC=C(C=C1)/[N+](=N/[O-])/[O-].C1=CC=C(C=C1)/[N+](=N/[O-])/[O-].C1=CC=C(C=C1)/[N+](=N/[O-])/[O-].[Al+3] |
| Isotope Atom Count | 0 |
| Monoisotopic Mass | 438.0868456 |
| Physical State | Off-white powder |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 193 Ų |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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