| CAS Number | 1255635-68-7 |
| Catalog Number | AG00HIAA(AGN-PC-0WR5GM) |
| Chemical Name | 4-(Thiophen-2-yl)picolinic acid |
| IUPAC Name | 4-thiophen-2-ylpyridine-2-carboxylic acid |
| InChI | InChI=1S/C10H7NO2S/c12-10(13)8-6-7(3-4-11-8)9-2-1-5-14-9/h1-6H,(H,12,13) |
| InChI Key | IMPKXJXBCMTGJU-UHFFFAOYSA-N |
| MDL Number | MFCD17677661 |
| Molecular Formula | C10H7NO2S |
| Molecular Weight | 205.2331 |
| SMILES | OC(=O)c1nccc(c1)c1cccs1 |
| Synonyms | 4-(THIOPHEN-2-YL)PICOLINIC ACID,
1255635-68-7,
SCHEMBL19513596,
MFCD17677661,
ZINC65347020,
4-(thiophen-2-yl)pyridine-2-carboxylic acid,
K-1846,
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| Complexity | 222 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 205.02g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 205.231g/mol |
| Monoisotopic Mass | 205.02g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 78.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.1 |
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Certificate of Analysis
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