| CAS Number | 1261937-73-8 |
| Catalog Number | AG000S7F(AGN-PC-0WA547) |
| Chemical Name | 2-(4-Carboxyphenyl)-3-hydroxypyridine |
| IUPAC Name | 4-(3-hydroxypyridin-2-yl)benzoic acid |
| InChI | InChI=1S/C12H9NO3/c14-10-2-1-7-13-11(10)8-3-5-9(6-4-8)12(15)16/h1-7,14H,(H,15,16) |
| InChI Key | FHMJSQINYLEMRL-UHFFFAOYSA-N |
| MDL Number | MFCD18312123 |
| Molecular Formula | C12H9NO3 |
| Molecular Weight | 215.2048 |
| SMILES | Oc1cccnc1c1ccc(cc1)C(=O)O |
| Synonyms | 2-(4-CARBOXYPHENYL)-3-HYDROXYPYRIDINE,
1261937-73-8,
4-(3-hydroxypyridin-2-yl)benzoic acid,
ACMC-209b61,
SCHEMBL6873637,
CTK8A9763,
DTXSID20682766,
ANW-18743,
MFCD18312123,
ZINC65339134,
Benzoic acid, 4-(3-hydroxy-2-pyridinyl)-,
TC-107488,
K-2854,
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| Complexity | 249 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 215.058g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 215.208g/mol |
| Monoisotopic Mass | 215.058g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 70.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.7 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number