| CAS Number | 1797376-43-2 |
| Catalog Number | AG01AFKM(AGN-PC-0WO83A) |
| Chemical Name | 5-acetyl-2,6-dimethylpyridine-3-carboxylic acid hydrochloride |
| IUPAC Name | 5-acetyl-2,6-dimethylpyridine-3-carboxylic acid;hydrochloride |
| InChI | InChI=1S/C10H11NO3.ClH/c1-5-8(7(3)12)4-9(10(13)14)6(2)11-5;/h4H,1-3H3,(H,13,14);1H |
| InChI Key | UPMZGEMXBREPNM-UHFFFAOYSA-N |
| MDL Number | MFCD27500909 |
| Molecular Formula | C10H12ClNO3 |
| Molecular Weight | 229.6602 |
| SMILES | Cl.CC(C1=C(C)N=C(C)C(C(O)=O)=C1)=O |
| Synonyms | 5-acetyl-2,6-dimethylpyridine-3-carboxylic acid hydrochloride,
1797376-43-2,
AKOS026290467,
MCULE-1171229196,
NE31518,
Z1741785896,
|
| Complexity | 252 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 229.051g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 229.66g/mol |
| Monoisotopic Mass | 229.051g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 67.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
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