| CAS Number | 79233-72-0 |
| Catalog Number | AG00ID0P(AGN-PC-0NGBOH) |
| Chemical Name | 2-Pyridinecarboxylic acid, 1,1-dimethylethyl ester |
| IUPAC Name | tert-butyl pyridine-2-carboxylate |
| InChI | InChI=1S/C10H13NO2/c1-10(2,3)13-9(12)8-6-4-5-7-11-8/h4-7H,1-3H3 |
| InChI Key | KNLKRAUJQBLECR-UHFFFAOYSA-N |
| MDL Number | MFCD19600064 |
| Molecular Formula | C10H13NO2 |
| Molecular Weight | 179.2157 |
| SMILES | CC(OC(C1=NC=CC=C1)=O)(C)C |
| Synonyms | Tert-butyl Pyridine-2-carboxylate,
79233-72-0,
tert-butyl 2-pyridinecarboxylate,
pyridine-2-carboxylic acid t-butyl ester,
Picolinic acid tert-butyl ester,
SCHEMBL2652708,
KNLKRAUJQBLECR-UHFFFAOYSA-N,
ZINC38282420,
AKOS013211448,
NE38588,
pyridine-2-carboxylic acid tert-butyl ester,
2-Pyridinecarboxylic acid, 1,1-dimethylethyl ester,
CID11126842,
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| Complexity | 184 |
| 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 | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 179.219g/mol |
| Monoisotopic Mass | 179.095g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 39.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.3 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number