| CAS Number | 115453-99-1 |
| Catalog Number | AG01EB1Q |
| Chemical Name | CB-7921220 |
| IUPAC Name | 6-[2-(4-aminophenyl)ethenyl]pyridine-2-carboxylic acid |
| InChI | InChI=1S/C14H12N2O2/c15-11-7-4-10(5-8-11)6-9-12-2-1-3-13(16-12)14(17)18/h1-9H,15H2,(H,17,18) |
| InChI Key | QASPDWZDKLUOPO-UHFFFAOYSA-N |
| MDL Number | MFCD05999206 |
| Molecular Formula | C14H12N2O2 |
| Molecular Weight | 240.2573 |
| SMILES | O=C(O)C1=NC(C=CC2=CC=C(N)C=C2)=CC=C1 |
| Synonyms | CB7921220,
115453-99-1,
AC1MGQXT,
6-[2-(4-aminophenyl)ethenyl]pyridine-2-carboxylic Acid,
MCULE-5469778804,
AK688749,
CID2965276,
|
| Complexity | 309 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 240.09g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 240.262g/mol |
| Monoisotopic Mass | 240.09g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 76.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 1 |
| XLogP3 | 2.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number