| CAS Number | 1211584-45-0 |
| Catalog Number | AG01C55I |
| Chemical Name | 3-tert-butylpyridine-2-carboxylic acid |
| IUPAC Name | 3-tert-butylpyridine-2-carboxylic acid |
| InChI | InChI=1S/C10H13NO2/c1-10(2,3)7-5-4-6-11-8(7)9(12)13/h4-6H,1-3H3,(H,12,13) |
| InChI Key | MYWYWSXWJWFNLI-UHFFFAOYSA-N |
| MDL Number | MFCD18254135 |
| Molecular Formula | C10H13NO2 |
| Molecular Weight | 179.2157 |
| SMILES | CC(C1=C(C(O)=O)N=CC=C1)(C)C |
| Synonyms | 3-(tert-Butyl)picolinic acid,
1211584-45-0,
SCHEMBL5241823,
ZINC144075297,
3-tert-butylpyridine-2-carboxylic acid,
FCH1150108,
AX8270645,
|
| Complexity | 196 |
| 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 | 2.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number