| CAS Number | 870556-29-9 |
| Catalog Number | AG00IEC3(AGN-PC-0OKS68) |
| Chemical Name | Pyridinium, 4-(5,5-dimethyl-1,3,2-dioxaborinan-2-yl)-1-methyl-, iodide |
| IUPAC Name | 4-(5,5-dimethyl-1,3,2-dioxaborinan-2-yl)-1-methylpyridin-1-ium;iodide |
| InChI | InChI=1S/C11H17BNO2.HI/c1-11(2)8-14-12(15-9-11)10-4-6-13(3)7-5-10;/h4-7H,8-9H2,1-3H3;1H/q+1;/p-1 |
| InChI Key | VZVQBNNXFQTZMS-UHFFFAOYSA-M |
| MDL Number | MFCD26523329 |
| Molecular Formula | C11H17BINO2 |
| Molecular Weight | 332.9737 |
| SMILES | C[N+]1=CC=C(B2OCC(C)(C)CO2)C=C1.[I-] |
| Synonyms | 4-(5,5-DIMETHYL-1,3,2-DIOXABORINAN-2-YL)-1-METHYLPYRIDIN-1-IUM IODIDE,
870556-29-9,
C11H17BNO2.I,
KM2461,
AKOS025293584,
CS-0091288,
V8253,
Pyridinium, 4-(5,5-dimethyl-1,3,2-dioxaborinan-2-yl)-1-methyl-, iodide,
|
| Complexity | 205 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 333.04g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 332.976g/mol |
| Monoisotopic Mass | 333.04g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 22.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
Lot Number