| CAS Number | 1423029-80-4 |
| Catalog Number | AG009HMT(AGN-PC-0WOA79) |
| Chemical Name | 6-Isopropylnicotinic acid hydrochloride |
| IUPAC Name | 6-propan-2-ylpyridine-3-carboxylic acid;hydrochloride |
| InChI | InChI=1S/C9H11NO2.ClH/c1-6(2)8-4-3-7(5-10-8)9(11)12;/h3-6H,1-2H3,(H,11,12);1H |
| InChI Key | KCTAJFRERGSOOT-UHFFFAOYSA-N |
| MDL Number | MFCD22421844 |
| Molecular Formula | C9H12ClNO2 |
| Molecular Weight | 201.6501 |
| SMILES | C1(C(=O)O)=CN=C(C=C1)C(C)C.Cl |
| Synonyms | 6-Isopropylnicotinic acid hydrochloride,
1423029-80-4,
6-Isopropylnicotinic acid HCl,
6-(propan-2-yl)pyridine-3-carboxylic acid hydrochloride,
MFCD22421844,
AKOS026729356,
MCULE-3182010482,
NE49206,
AS-50256,
|
| Complexity | 168 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 201.056g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 201.65g/mol |
| Monoisotopic Mass | 201.056g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 50.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number