| CAS Number | 220437-83-2 |
| Catalog Number | AG019EKB(AGN-PC-02RUOT) |
| Chemical Name | 3,4-Dimethoxypicolinic acid |
| IUPAC Name | 3,4-dimethoxypyridine-2-carboxylic acid |
| InChI | InChI=1S/C8H9NO4/c1-12-5-3-4-9-6(8(10)11)7(5)13-2/h3-4H,1-2H3,(H,10,11) |
| InChI Key | NQRYGZZOEKGPKR-UHFFFAOYSA-N |
| MDL Number | MFCD18255793 |
| Molecular Formula | C8H9NO4 |
| Molecular Weight | 183.1614 |
| SMILES | COc1c(OC)ccnc1C(=O)O |
| Synonyms | 3,4-dimethoxypicolinic acid,
220437-83-2,
3,4-dimethoxypyridine-2-carboxylic acid,
SCHEMBL2241390,
NQRYGZZOEKGPKR-UHFFFAOYSA-N,
KS-00000U8L,
MFCD18255793,
ZINC59861575,
AK683631,
DS-20076,
CS-0059169,
ACN-043781,
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| 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 | 0.7 |
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Certificate of Analysis
Lot Number