| CAS Number | 1226205-48-6 |
| Catalog Number | AG00HGUW |
| Chemical Name | 2-(o-tolyl)Nicotinic acid |
| IUPAC Name | 2-(2-methylphenyl)pyridine-3-carboxylic acid |
| InChI | InChI=1S/C13H11NO2/c1-9-5-2-3-6-10(9)12-11(13(15)16)7-4-8-14-12/h2-8H,1H3,(H,15,16) |
| InChI Key | QJMCCUBNJZXTNN-UHFFFAOYSA-N |
| MDL Number | MFCD16308579 |
| Molecular Formula | C13H11NO2 |
| Molecular Weight | 213.2319 |
| SMILES | Cc1ccccc1-c1ncccc1C(O)=O |
| Synonyms | 2-(o-tolyl)Nicotinic acid,
1226205-48-6,
2-(2-METHYLPHENYL)NICOTINIC ACID,
SCHEMBL10000544,
DTXSID30596123,
MFCD16308579,
AKOS022305118,
CS-0060015,
2-(2-methylphenyl)pyridine-3-carboxylic acid,
K-1711,
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| Complexity | 254 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 213.079g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 213.236g/mol |
| Monoisotopic Mass | 213.079g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 50.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.4 |
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Certificate of Analysis
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