| CAS Number | 113124-10-0 |
| Catalog Number | AG00J2EV(AGN-PC-0NY30E) |
| Chemical Name | 5,6-Dimethylnicotinic acid hydrochloride |
| IUPAC Name | 5,6-dimethylpyridine-3-carboxylic acid;hydrochloride |
| InChI | InChI=1S/C8H9NO2.ClH/c1-5-3-7(8(10)11)4-9-6(5)2;/h3-4H,1-2H3,(H,10,11);1H |
| InChI Key | OITORUSCORGAIO-UHFFFAOYSA-N |
| MDL Number | MFCD28024712 |
| Molecular Formula | C8H10ClNO2 |
| Molecular Weight | 187.6235 |
| SMILES | C1(C=NC(=C(C)C=1)C)C(O)=O.Cl |
| Synonyms | 5,6-Dimethylnicotinic acid hydrochloride,
113124-10-0,
ZX-CM009354,
MFCD28024712,
AKOS027426034,
|
| Complexity | 158 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 187.04g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 187.623g/mol |
| Monoisotopic Mass | 187.04g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 50.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number