| CAS Number | 1039902-71-0 |
| Catalog Number | AG01A51C(AGN-PC-0WOCY9) |
| Chemical Name | 6-(Tert-butoxy)pyridine-3-carboxylic acid |
| IUPAC Name | 6-[(2-methylpropan-2-yl)oxy]pyridine-3-carboxylic acid |
| InChI | InChI=1S/C10H13NO3/c1-10(2,3)14-8-5-4-7(6-11-8)9(12)13/h4-6H,1-3H3,(H,12,13) |
| InChI Key | AWWKWKCSQKWENM-UHFFFAOYSA-N |
| MDL Number | MFCD11196487 |
| Molecular Formula | C10H13NO3 |
| Molecular Weight | 195.2151 |
| SMILES | CC(OC1=NC=C(C(O)=O)C=C1)(C)C |
| Synonyms | 6-(tert-butoxy)pyridine-3-carboxylic acid,
1039902-71-0,
6-tert-butoxynicotinic acid,
SCHEMBL2937538,
AWWKWKCSQKWENM-UHFFFAOYSA-N,
ZINC20509176,
AKOS009261788,
MCULE-9295995472,
NE19145,
Z1623864183,
|
| 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