| CAS Number | 1250618-71-3 |
| Catalog Number | AG01AHPQ |
| Chemical Name | 3-Methyl-4-(pyridin-3-yloxy)benzaldehyde |
| IUPAC Name | 3-methyl-4-pyridin-3-yloxybenzaldehyde |
| InChI | InChI=1S/C13H11NO2/c1-10-7-11(9-15)4-5-13(10)16-12-3-2-6-14-8-12/h2-9H,1H3 |
| InChI Key | RUHZIVBIUFNSRP-UHFFFAOYSA-N |
| MDL Number | MFCD16717340 |
| Molecular Formula | C13H11NO2 |
| Molecular Weight | 213.2319 |
| SMILES | CC1=C(OC2=CN=CC=C2)C=CC(C=O)=C1 |
| Synonyms | 3-methyl-4-(pyridin-3-yloxy)benzaldehyde,
1250618-71-3,
ZINC50545181,
AKOS011401885,
NE19427,
EN300-75426,
|
| Complexity | 232 |
| 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 | 2.2 |
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