| CAS Number | 1803610-58-3 |
| Catalog Number | AG01AM86 |
| Chemical Name | 2-ethyl-6-(propan-2-yl)pyridine-3-carboxylic acid hydrochloride |
| IUPAC Name | 2-ethyl-6-propan-2-ylpyridine-3-carboxylic acid;hydrochloride |
| InChI | InChI=1S/C11H15NO2.ClH/c1-4-9-8(11(13)14)5-6-10(12-9)7(2)3;/h5-7H,4H2,1-3H3,(H,13,14);1H |
| InChI Key | NQWLNQNHYMTACR-UHFFFAOYSA-N |
| MDL Number | MFCD28968397 |
| Molecular Formula | C11H16ClNO2 |
| Molecular Weight | 229.7032 |
| SMILES | Cl.CCC1=C(C(O)=O)C=CC(C(C)C)=N1 |
| Synonyms | 1803610-58-3,
2-ethyl-6-(propan-2-yl)pyridine-3-carboxylic acid hydrochloride,
AKOS033805899,
Z2216303069,
|
| Complexity | 204 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 229.087g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 229.704g/mol |
| Monoisotopic Mass | 229.087g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 50.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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