| CAS Number | 1261994-86-8 |
| Catalog Number | AG000SBF(AGN-PC-0WAAP1) |
| Chemical Name | 5-(2,5-Dimethoxyphenyl)picolinic acid |
| IUPAC Name | 5-(2,5-dimethoxyphenyl)pyridine-2-carboxylic acid |
| InChI | InChI=1S/C14H13NO4/c1-18-10-4-6-13(19-2)11(7-10)9-3-5-12(14(16)17)15-8-9/h3-8H,1-2H3,(H,16,17) |
| InChI Key | GLHARYJNHKKWBK-UHFFFAOYSA-N |
| MDL Number | MFCD17148283 |
| Molecular Formula | C14H13NO4 |
| Molecular Weight | 259.2573 |
| SMILES | COc1ccc(cc1c1ccc(nc1)C(=O)O)OC |
| Synonyms | 5-(2,5-Dimethoxyphenyl)picolinic acid,
1261994-86-8,
ACMC-209ba5,
CTK8A9893,
DTXSID40681372,
ANW-18891,
MFCD17148283,
ZINC61863364,
AKOS012257291,
TC-107636,
Z9287,
5-(2,5-dimethoxyphenyl)pyridine-2-carboxylic acid,
2-Pyridinecarboxylic acid, 5-(2,5-dimethoxyphenyl)-,
C14H13NO4,
|
| Complexity | 310 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 259.084g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 259.261g/mol |
| Monoisotopic Mass | 259.084g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 68.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.3 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number