| CAS Number | 1415819-86-1 |
| Catalog Number | AG009WZK(AGN-PC-0WAAYA) |
| Chemical Name | 5-[(t-Butoxy)carbonyl]pyridine-2-carboxylic acid |
| IUPAC Name | 5-[(2-methylpropan-2-yl)oxycarbonyl]pyridine-2-carboxylic acid |
| InChI | InChI=1S/C11H13NO4/c1-11(2,3)16-10(15)7-4-5-8(9(13)14)12-6-7/h4-6H,1-3H3,(H,13,14) |
| InChI Key | NPQFJFVPQZHGRD-UHFFFAOYSA-N |
| MDL Number | MFCD22586693 |
| Molecular Formula | C11H13NO4 |
| Molecular Weight | 223.2252 |
| SMILES | CC(OC(C1=CN=C(C(O)=O)C=C1)=O)(C)C |
| Synonyms | 5-[(t-Butoxy)carbonyl]pyridine-2-carboxylic acid,
1415819-86-1,
5-(tert-butoxycarbonyl)picolinic acid,
SCHEMBL17668766,
ZINC95495972,
AKOS026673306,
DA-02846,
V3114,
5-[(tert-butoxy)carbonyl]pyridine-2-carboxylic acid,
Z2418194222,
C11H13NO4,
848308-47-4,
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| 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 |
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Certificate of Analysis
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