| CAS Number | 1261957-67-8 |
| Catalog Number | AG00HO3F(AGN-PC-0WNPOJ) |
| Chemical Name | 4-(Thiophen-3-YL)nicotinic acid |
| IUPAC Name | 4-thiophen-3-ylpyridine-3-carboxylic acid |
| InChI | InChI=1S/C10H7NO2S/c12-10(13)9-5-11-3-1-8(9)7-2-4-14-6-7/h1-6H,(H,12,13) |
| InChI Key | GHKSDGLKJMRIDL-UHFFFAOYSA-N |
| MDL Number | MFCD18323296 |
| Molecular Formula | C10H7NO2S |
| Molecular Weight | 205.2331 |
| SMILES | OC(=O)c1cnccc1c1cscc1 |
| Synonyms | 4-(THIOPHEN-3-YL)NICOTINIC ACID,
1261957-67-8,
DTXSID20692401,
MFCD18323296,
ZINC65355578,
Z9213,
4-(Thiophen-3-yl)pyridine-3-carboxylic acid,
K-3173,
C10H7NO2S,
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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 | 1.7 |
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Certificate of Analysis
Lot Number