| CAS Number | 1215576-19-4 |
| Catalog Number | AG01ER0X(AGN-PC-0WCBG6) |
| Chemical Name | 1-[6-(4-Methoxyphenyl)pyridin-3-yl]ethanone |
| IUPAC Name | 1-[6-(4-methoxyphenyl)pyridin-3-yl]ethanone |
| InChI | InChI=1S/C14H13NO2/c1-10(16)12-5-8-14(15-9-12)11-3-6-13(17-2)7-4-11/h3-9H,1-2H3 |
| InChI Key | OWSNIPNNXNMXMR-UHFFFAOYSA-N |
| MDL Number | MFCD12404914 |
| Molecular Formula | C14H13NO2 |
| Molecular Weight | 227.2585 |
| SMILES | C1=C(C2C=CC(OC)=CC=2)N=CC(C(=O)C)=C1 |
| Synonyms | 1-[6-(4-Methoxyphenyl)pyridin-3-yl]ethanone,
1215576-19-4,
1-(6-(4-Methoxyphenyl)pyridin-3-yl)ethanone,
CTK7A3001,
KS-00003TMS,
MFCD12404914,
SBB055646,
ZINC40448161,
3-acetyl-6-(4-methoxyphenyl)pyridine,
AKOS026675879,
TS-03230,
1-[6-(4-Methoxy-phenyl)-pyridin-3-yl]-ethanone,
1-[6-(4-methoxyphenyl)pyridin-3-yl]ethan-1-one,
|
| Complexity | 259 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 227.095g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 227.263g/mol |
| Monoisotopic Mass | 227.095g/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 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number