| CAS Number | 1247348-67-9 |
| Catalog Number | AG01C1EO |
| Chemical Name | 6-methyl-2-(propan-2-yl)pyridine-3-carboxylic acid |
| IUPAC Name | 6-methyl-2-propan-2-ylpyridine-3-carboxylic acid |
| InChI | InChI=1S/C10H13NO2/c1-6(2)9-8(10(12)13)5-4-7(3)11-9/h4-6H,1-3H3,(H,12,13) |
| InChI Key | ZATYBJLZVBGRRG-UHFFFAOYSA-N |
| MDL Number | MFCD28016208 |
| Molecular Formula | C10H13NO2 |
| Molecular Weight | 179.2157 |
| SMILES | CC(C1=C(C(O)=O)C=CC(C)=N1)C |
| Synonyms | 6-methyl-2-(propan-2-yl)pyridine-3-carboxylic acid,
1247348-67-9,
SCHEMBL18882780,
ZINC95949945,
AKOS033564157,
Z1720655573,
|
| Complexity | 191 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 179.095g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 179.219g/mol |
| Monoisotopic Mass | 179.095g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 50.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number