| CAS Number | 7630-02-6 |
| Catalog Number | AG01BEJI(AGN-PC-00K733) |
| Chemical Name | 4-(Methoxycarbonyl)-1-methylpyridin-1-ium iodide |
| IUPAC Name | methyl 1-methylpyridin-1-ium-4-carboxylate;iodide |
| InChI | InChI=1S/C8H10NO2.HI/c1-9-5-3-7(4-6-9)8(10)11-2;/h3-6H,1-2H3;1H/q+1;/p-1 |
| InChI Key | PCDBIGSCEQLGED-UHFFFAOYSA-M |
| MDL Number | MFCD31654107 |
| Molecular Formula | C8H10INO2 |
| Molecular Weight | 279.0750 |
| SMILES | [I-].COC(C1=CC=[N+](C)C=C1)=O |
| Synonyms | 4-(Methoxycarbonyl)-1-methylpyridin-1-ium iodide,
7630-02-6,
4-(methoxycarbonyl)-1-methylpyridinium iodide,
SCHEMBL3568331,
CTK2G7939,
DTXSID20513586,
PCDBIGSCEQLGED-UHFFFAOYSA-M,
STL115050,
AKOS003628052,
GG-0056,
MCULE-5123334618,
1-methyl-4-carbomethoxypyridinium iodide,
n-methyl-4-methoxycarbonylpyridinium iodide,
4-methoxycarbonyl-1-methylpyridinium iodide,
N-(Methyl)-4-(methoxycarbonyl)pyridinium Iodide,
Pyridinium, 4-(methoxycarbonyl)-1-methyl-, iodide,
4-(methoxycarbonyl)-1-methyl-pyridinium iodide,
|
| Complexity | 139 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 278.976g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 279.077g/mol |
| Monoisotopic Mass | 278.976g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 30.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number