| CAS Number | 1522373-21-2 |
| Catalog Number | AG01C2E6 |
| Chemical Name | 3-[(tert-Butoxy)carbonyl]pyridine-2-carboxylic acid |
| IUPAC Name | 3-[(2-methylpropan-2-yl)oxycarbonyl]pyridine-2-carboxylic acid |
| InChI | InChI=1S/C11H13NO4/c1-11(2,3)16-10(15)7-5-4-6-12-8(7)9(13)14/h4-6H,1-3H3,(H,13,14) |
| InChI Key | CJNOKBVLGGIMFJ-UHFFFAOYSA-N |
| MDL Number | MFCD29762706 |
| Molecular Formula | C11H13NO4 |
| Molecular Weight | 223.2252 |
| SMILES | CC(OC(C1=C(C(O)=O)N=CC=C1)=O)(C)C |
| Synonyms | 3-[(tert-butoxy)carbonyl]pyridine-2-carboxylic acid,
1522373-21-2,
SCHEMBL16515769,
CJNOKBVLGGIMFJ-UHFFFAOYSA-N,
ZINC59916715,
AKOS033878235,
Z2372279972,
3-(tert-butoxycarbonyl)picolinic acid,
|
| Complexity | 282 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 223.084g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 223.228g/mol |
| Monoisotopic Mass | 223.084g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 76.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number