| CAS Number | 1392467-07-0 |
| Catalog Number | AG01ALHL |
| Chemical Name | 5-(tert-butoxy)picolinic acid |
| IUPAC Name | 5-[(2-methylpropan-2-yl)oxy]pyridine-2-carboxylic acid |
| InChI | InChI=1S/C10H13NO3/c1-10(2,3)14-7-4-5-8(9(12)13)11-6-7/h4-6H,1-3H3,(H,12,13) |
| InChI Key | ZTRGDTSIOIZIPS-UHFFFAOYSA-N |
| MDL Number | MFCD24219577 |
| Molecular Formula | C10H13NO3 |
| Molecular Weight | 195.2151 |
| SMILES | CC(OC1=CN=C(C(O)=O)C=C1)(C)C |
| Synonyms | 5-(tert-Butoxy)picolinic acid,
1392467-07-0,
5-(tert-butoxy)pyridine-2-carboxylic acid,
5-(t-Butoxy)picolinic acid,
SCHEMBL11894305,
MFCD24219577,
AKOS027329599,
ZINC122757541,
AS-36605,
Z2205958804,
|
| Complexity | 210 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 195.09g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 195.218g/mol |
| Monoisotopic Mass | 195.09g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 59.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number