| CAS Number | 857380-05-3 |
| Catalog Number | AG00G85M(AGN-PC-071HS7) |
| Chemical Name | 4-Methoxy-pyridine-2,6-dicarboxylic acid monomethyl ester |
| IUPAC Name | 4-methoxy-6-methoxycarbonylpyridine-2-carboxylic acid |
| InChI | InChI=1S/C9H9NO5/c1-14-5-3-6(8(11)12)10-7(4-5)9(13)15-2/h3-4H,1-2H3,(H,11,12) |
| InChI Key | SZZUSFUVKKLOIZ-UHFFFAOYSA-N |
| MDL Number | MFCD12405826 |
| Molecular Formula | C9H9NO5 |
| Molecular Weight | 211.1715 |
| SMILES | COc1cc(nc(c1)C(=O)O)C(=O)OC |
| Synonyms | 857380-05-3,
4-METHOXY-6-(METHOXYCARBONYL)PYRIDINE-2-CARBOXYLIC ACID,
4-methoxy-6-(methoxycarbonyl)picolinic acid,
DTXSID90654915,
ZINC33358827,
AKOS015917068,
AB65551,
FT-0659499,
A841440,
S04-0028,
4-methoxy-6-methoxycarbonyl-2-pyridinecarboxylic acid,
4-methoxy-6-methoxycarbonyl-pyridine-2-carboxylic acid,
4-Methoxy-pyridine-2,6-dicarboxylic acid monomethyl ester,
|
| Complexity | 255 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 211.048g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 211.173g/mol |
| Monoisotopic Mass | 211.048g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 85.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number