| CAS Number | 385802-40-4 |
| Catalog Number | AG01AF5T |
| Chemical Name | 2-Methoxy-5-(pyridin-4-yl)benzaldehyde |
| IUPAC Name | 2-methoxy-5-pyridin-4-ylbenzaldehyde |
| InChI | InChI=1S/C13H11NO2/c1-16-13-3-2-11(8-12(13)9-15)10-4-6-14-7-5-10/h2-9H,1H3 |
| InChI Key | OOTSXFWEFCBQQP-UHFFFAOYSA-N |
| MDL Number | MFCD12785843 |
| Molecular Formula | C13H11NO2 |
| Molecular Weight | 213.2319 |
| SMILES | COC1=C(C=O)C=C(C2=CC=NC=C2)C=C1 |
| Synonyms | 2-methoxy-5-(pyridin-4-yl)benzaldehyde,
385802-40-4,
2-methoxy-5-pyridin-4-yl-benzaldehyde,
SCHEMBL3252986,
OOTSXFWEFCBQQP-UHFFFAOYSA-N,
MFCD12785843,
ZINC39018990,
AKOS010309095,
2-methoxy-5-(pridin-4-yl)benzaldehyde,
Z0563,
Q-8187,
C13H11NO2,
2-methoxy-5-(4-pyridinyl)benzaldehyde,
CID10560535,
|
| Complexity | 226 |
| 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 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number