| CAS Number | 13764-20-0 |
| Catalog Number | AG0013O4(AGN-PC-0NKTCG) |
| Chemical Name | Benzoic acid, 2-(2-pyridinyl)- |
| IUPAC Name | 2-pyridin-2-ylbenzoic acid |
| InChI | InChI=1S/C12H9NO2/c14-12(15)10-6-2-1-5-9(10)11-7-3-4-8-13-11/h1-8H,(H,14,15) |
| InChI Key | KTSUSQZZJTZSFA-UHFFFAOYSA-N |
| MDL Number | MFCD11848836 |
| Molecular Formula | C12H9NO2 |
| Molecular Weight | 199.2054 |
| SMILES | O=C(O)C1=CC=CC=C1C2=NC=CC=C2 |
| Synonyms | 2-(PYRIDIN-2-YL)BENZOIC ACID,
13764-20-0,
2-(2-Pyridinyl)benzoic Acid,
Benzoic acid, 2-(2-pyridinyl)-,
pyridine-benzoic acid,
2-(2-Pyridyl)benzoic acid,
2-pyridin-2-yl-benzoic acid,
SCHEMBL1173966,
KS-00000TDY,
DTXSID30577634,
KTSUSQZZJTZSFA-UHFFFAOYSA-N,
MFCD11848836,
ZINC31997355,
AKOS012989986,
AK200043,
DS-10007,
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| Complexity | 230 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 199.063g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 199.209g/mol |
| Monoisotopic Mass | 199.063g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 50.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2 |
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Certificate of Analysis
Lot Number