| CAS Number | 118001-73-3 |
| Catalog Number | AG008U7A(AGN-PC-000819) |
| Chemical Name | 4-(Pyridin-4-ylmethoxy)benzaldehyde |
| IUPAC Name | 4-(pyridin-4-ylmethoxy)benzaldehyde |
| InChI | InChI=1S/C13H11NO2/c15-9-11-1-3-13(4-2-11)16-10-12-5-7-14-8-6-12/h1-9H,10H2 |
| InChI Key | NJWQYDUYMAMRAT-UHFFFAOYSA-N |
| MDL Number | MFCD08444878 |
| Molecular Formula | C13H11NO2 |
| Molecular Weight | 213.2319 |
| SMILES | C1=C(C=CC(=C1)OCC2=CC=NC=C2)C=O |
| Synonyms | 4-(pyridin-4-ylmethoxy)benzaldehyde,
118001-73-3,
AC1Q6PUE,
SCHEMBL432927,
CTK7H9524,
NJWQYDUYMAMRAT-UHFFFAOYSA-N,
ZINC19439010,
4-(pyridine-4-ylmethoxy)benzaldehyde,
AKOS000173391,
MCULE-1581437526,
NE31962,
DA-14991,
FT-0762751,
EN300-36537,
J-513847,
|
| Complexity | 206 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 213.079g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 213.236g/mol |
| Monoisotopic Mass | 213.079g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 39.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.8 |
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Certificate of Analysis
Lot Number