| CAS Number | 1214389-46-4 |
| Catalog Number | AG00HG8F(AGN-PC-0WBQ48) |
| Chemical Name | 6-Hydroxy-5-phenylnicotinic acid |
| IUPAC Name | 6-oxo-5-phenyl-1H-pyridine-3-carboxylic acid |
| InChI | InChI=1S/C12H9NO3/c14-11-10(8-4-2-1-3-5-8)6-9(7-13-11)12(15)16/h1-7H,(H,13,14)(H,15,16) |
| InChI Key | UKWVOBNURAYUJS-UHFFFAOYSA-N |
| MDL Number | MFCD14702021 |
| Molecular Formula | C12H9NO3 |
| Molecular Weight | 215.2048 |
| SMILES | OC(C1=CC(C2=CC=CC=C2)=C(O)N=C1)=O |
| Synonyms | 6-HYDROXY-5-PHENYLNICOTINIC ACID,
1214389-46-4,
SCHEMBL3639904,
DTXSID60673496,
MFCD14702021,
ZINC47211860,
AKOS025312688,
2-Hydroxy-3-phenyl-5-pyridinecarboxylic acid,
6-hydroxy-5-phenylpyridine-3-carboxylic acid,
K-1594,
6-Oxo-5-phenyl-1,6-dihydropyridine-3-carboxylic acid,
F1907-0003,
|
| Complexity | 376 |
| 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 | 3 |
| 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 | 66.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number