| CAS Number | 1261972-92-2 |
| Catalog Number | AG000SA1(AGN-PC-09Q3BH) |
| Chemical Name | 3-(4-Formylphenyl)picolinic acid |
| IUPAC Name | 3-(4-formylphenyl)pyridine-2-carboxylic acid |
| InChI | InChI=1S/C13H9NO3/c15-8-9-3-5-10(6-4-9)11-2-1-7-14-12(11)13(16)17/h1-8H,(H,16,17) |
| InChI Key | JLBFPCXWHINREB-UHFFFAOYSA-N |
| MDL Number | MFCD18316849 |
| Molecular Formula | C13H9NO3 |
| Molecular Weight | 227.2155 |
| SMILES | O=Cc1ccc(cc1)c1cccnc1C(=O)O |
| Synonyms | 3-(4-Formylphenyl)picolinic acid,
1261972-92-2,
ACMC-209b8u,
SCHEMBL2560830,
CTK8A9854,
DTXSID60687033,
ANW-18844,
MFCD18316849,
ZINC65347214,
AKOS016008429,
AJ-115354,
TC-107589,
Z9248,
3-(4-formylphenyl)pyridine-2-carboxylic acid,
B-6991,
2-Pyridinecarboxylic acid, 3-(4-formylphenyl)-,
C13H9NO3,
3-(4-Formylphenyl)picolinicacid,
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| Complexity | 284 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 227.058g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 227.219g/mol |
| Monoisotopic Mass | 227.058g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 67.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.8 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number