| CAS Number | 86696-69-7 |
| Catalog Number | AG004TCC(AGN-PC-0NK9JP) |
| Chemical Name | 6-(2-Methoxyphenyl)picolinic acid |
| IUPAC Name | 6-(2-methoxyphenyl)pyridine-2-carboxylic acid |
| InChI | InChI=1S/C13H11NO3/c1-17-12-8-3-2-5-9(12)10-6-4-7-11(14-10)13(15)16/h2-8H,1H3,(H,15,16) |
| InChI Key | YKISLHFFDIVAAF-UHFFFAOYSA-N |
| MDL Number | MFCD06410066 |
| Molecular Formula | C13H11NO3 |
| Molecular Weight | 229.2313 |
| SMILES | O=C(O)C1=NC(C2=CC=CC=C2OC)=CC=C1 |
| Synonyms | 6-(2-Methoxyphenyl)picolinic acid,
86696-69-7,
6-(2-Methoxyphenyl)pyridine-2-carboxylic acid,
CTK3E6500,
DTXSID40509789,
KS-00001BH6,
1048AF,
KM2433,
MFCD06410066,
ZINC20443276,
AKOS016013174,
AB23980,
AJ-77657,
TS-03259,
CS-0038246,
2-Pyridinecarboxylicacid, 6-(2-methoxyphenyl)-,
6- -picolinicacid,
C13H11NO3,
6-(2-Methoxyphenyl)picolinicacid,
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| Complexity | 269 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 229.074g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 229.235g/mol |
| Monoisotopic Mass | 229.074g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 59.4A^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