| CAS Number | 1225539-80-9 |
| Catalog Number | AG00HGSF |
| Chemical Name | 2-(4-methoxyphenyl)nicotinic acid |
| IUPAC Name | 2-(4-methoxyphenyl)pyridine-3-carboxylic acid |
| InChI | InChI=1S/C13H11NO3/c1-17-10-6-4-9(5-7-10)12-11(13(15)16)3-2-8-14-12/h2-8H,1H3,(H,15,16) |
| InChI Key | ZCJJGJJNZDKBSF-UHFFFAOYSA-N |
| MDL Number | MFCD16314950 |
| Molecular Formula | C13H11NO3 |
| Molecular Weight | 229.2313 |
| SMILES | COc1ccc(cc1)c1ncccc1C(=O)O |
| Synonyms | 2-(4-METHOXYPHENYL)NICOTINIC ACID,
1225539-80-9,
DTXSID00680760,
MFCD16314950,
AKOS022309082,
CS-0060031,
2-(4-methoxyphenyl)pyridine-3-carboxylic acid,
K-1677,
|
| Complexity | 261 |
| 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 |
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Certificate of Analysis
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