| CAS Number | 170621-89-3 |
| Catalog Number | AG01BUBG(AGN-PC-0WOBO4) |
| Chemical Name | 3,6-Dimethoxypicolinic acid |
| IUPAC Name | 3,6-dimethoxypyridine-2-carboxylic acid |
| InChI | InChI=1S/C8H9NO4/c1-12-5-3-4-6(13-2)9-7(5)8(10)11/h3-4H,1-2H3,(H,10,11) |
| InChI Key | QFKQRRSTFZHRJC-UHFFFAOYSA-N |
| MDL Number | MFCD18255855 |
| Molecular Formula | C8H9NO4 |
| Molecular Weight | 183.1614 |
| SMILES | COC1=NC(C(O)=O)=C(OC)C=C1 |
| Synonyms | 3,6-dimethoxypicolinic acid,
170621-89-3,
3,6-dimethoxypyridine-2-carboxylic acid,
SCHEMBL3780312,
AKOS023832498,
ZINC148006800,
2-Pyridinecarboxylic acid, 3,6-dimethoxy-,
FT-0749800,
Z2830704521,
|
| Complexity | 185 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 183.053g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 183.163g/mol |
| Monoisotopic Mass | 183.053g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 68.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number