| CAS Number | 868171-81-7 |
| Catalog Number | AG00IE7S(AGN-PC-035JFI) |
| Chemical Name | 3-Pyridinecarboxylic acid, 1,2-dihydro-2-oxo-1-phenyl- |
| IUPAC Name | 2-oxo-1-phenylpyridine-3-carboxylic acid |
| InChI | InChI=1S/C12H9NO3/c14-11-10(12(15)16)7-4-8-13(11)9-5-2-1-3-6-9/h1-8H,(H,15,16) |
| InChI Key | IXDWSPYXCCAUAW-UHFFFAOYSA-N |
| MDL Number | MFCD18711475 |
| Molecular Formula | C12H9NO3 |
| Molecular Weight | 215.2048 |
| SMILES | C1=CC=C(C=C1)N2C=CC=C(C2=O)C(=O)O |
| Synonyms | 2-OXO-1-PHENYL-1,2-DIHYDROPYRIDINE-3-CARBOXYLIC ACID,
868171-81-7,
3-Pyridinecarboxylic acid, 1,2-dihydro-2-oxo-1-phenyl-,
SCHEMBL1137068,
DTXSID70610610,
IXDWSPYXCCAUAW-UHFFFAOYSA-N,
MFCD18711475,
ZINC49815762,
AKOS022345096,
NS-02474,
AX8266516,
X-2613,
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| Complexity | 365 |
| 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 | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 215.208g/mol |
| Monoisotopic Mass | 215.058g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 57.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.2 |
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Certificate of Analysis
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