| CAS Number | 834884-62-7 |
| Catalog Number | AG00IZC1(AGN-PC-0WAYWM) |
| Chemical Name | 6-(4-methoxyphenyl)nicotinaldehyde |
| IUPAC Name | 6-(4-methoxyphenyl)pyridine-3-carbaldehyde |
| InChI | InChI=1S/C13H11NO2/c1-16-12-5-3-11(4-6-12)13-7-2-10(9-15)8-14-13/h2-9H,1H3 |
| InChI Key | YZDVCIURBAJHKI-UHFFFAOYSA-N |
| MDL Number | MFCD04115433 |
| Molecular Formula | C13H11NO2 |
| Molecular Weight | 213.2319 |
| SMILES | C1=C(C2C=CC(OC)=CC=2)N=CC(C=O)=C1 |
| Synonyms | 6-(4-Methoxyphenyl)nicotinaldehyde,
834884-62-7,
6-(4-methoxyphenyl)pyridine-3-carbaldehyde,
SCHEMBL9607472,
ZINC2527548,
MFCD04115433,
AKOS015991326,
AB19991,
CG-0710,
KS-000023T6,
|
| Complexity | 224 |
| 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 | 3 |
| Topological Polar Surface Area | 39.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.9 |
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