| CAS Number | 1821143-80-9 |
| Catalog Number | AG01EOGQ(AGN-PC-3H46DE) |
| Chemical Name | DMU2139 |
| IUPAC Name | (E)-1-(6-methoxynaphthalen-2-yl)-3-pyridin-3-ylprop-2-en-1-one |
| InChI | InChI=1S/C19H15NO2/c1-22-18-8-7-15-11-17(6-5-16(15)12-18)19(21)9-4-14-3-2-10-20-13-14/h2-13H,1H3/b9-4+ |
| InChI Key | MPDPEUALCUWORP-RUDMXATFSA-N |
| MDL Number | MFCD00004689 |
| Molecular Formula | C19H15NO2 |
| Molecular Weight | 289.3279 |
| SMILES | O=C(C1=CC=C2C=C(OC)C=CC2=C1)/C=C/C3=CC=CN=C3 |
| Synonyms | DMU2139,
1821143-80-9,
CHEMBL4092737,
SCHEMBL17233306,
AKOS008687573,
HY-101285,
CS-0021084,
(E)-1-(6-methoxynaphthalen-2-yl)-3-(pyridin-3-yl)prop-2-en-1-one,
|
| Complexity | 406 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 1 |
| Exact Mass | 289.11g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 22 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 289.334g/mol |
| Monoisotopic Mass | 289.11g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 39.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number