| CAS Number | 55218-76-3 |
| Catalog Number | AG00DGD0(AGN-PC-0NI4EJ) |
| Chemical Name | 4-Phenylpicolinaldehyde |
| IUPAC Name | 4-phenylpyridine-2-carbaldehyde |
| InChI | InChI=1S/C12H9NO/c14-9-12-8-11(6-7-13-12)10-4-2-1-3-5-10/h1-9H |
| InChI Key | AAUMFILRCKHZQP-UHFFFAOYSA-N |
| MDL Number | MFCD14702184 |
| Molecular Formula | C12H9NO |
| Molecular Weight | 183.2060 |
| SMILES | O=CC1=NC=CC(C2=CC=CC=C2)=C1 |
| Synonyms | 4-Phenylpyridine-2-carboxaldehyde,
4-PHENYLPICOLINALDEHYDE,
55218-76-3,
2-formyl-4-phenylpyridine,
SCHEMBL2084619,
4-phenyl-pyridine-2-carbaldehyde,
DTXSID00480944,
AAUMFILRCKHZQP-UHFFFAOYSA-N,
2-Pyridinecarboxaldehyde, 4-phenyl-,
ZINC38890839,
DB-083201,
FT-0762698,
|
| Complexity | 187 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 183.068g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 183.21g/mol |
| Monoisotopic Mass | 183.068g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 30A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.3 |
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Certificate of Analysis
Lot Number