| CAS Number | 1226273-30-8 |
| Catalog Number | AG009WZQ(AGN-PC-0WAASW) |
| Chemical Name | 5-(4-t-Butylphenyl)picolinic acid |
| IUPAC Name | 5-(4-tert-butylphenyl)pyridine-2-carboxylic acid |
| InChI | InChI=1S/C16H17NO2/c1-16(2,3)13-7-4-11(5-8-13)12-6-9-14(15(18)19)17-10-12/h4-10H,1-3H3,(H,18,19) |
| InChI Key | BJFLUGXFKLHZGT-UHFFFAOYSA-N |
| MDL Number | MFCD16329814 |
| Molecular Formula | C16H17NO2 |
| Molecular Weight | 255.3117 |
| SMILES | OC(=O)c1ccc(cn1)c1ccc(cc1)C(C)(C)C |
| Synonyms | 5-(4-t-Butylphenyl)picolinic acid,
1226273-30-8,
MFCD16329814,
ZINC41325414,
AKOS012256918,
Z8627,
5-(4-tert-Butylphenyl)-2-pyridinecarboxylic acid,
C16H17NO2,
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| Complexity | 313 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 255.126g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 255.317g/mol |
| Monoisotopic Mass | 255.126g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 50.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number