| CAS Number | 1821143-79-6 |
| Catalog Number | AG01EOGV(AGN-PC-3H46DF) |
| Chemical Name | DMU2105 |
| IUPAC Name | (E)-3-naphthalen-2-yl-1-pyridin-3-ylprop-2-en-1-one |
| InChI | InChI=1S/C18H13NO/c20-18(17-6-3-11-19-13-17)10-8-14-7-9-15-4-1-2-5-16(15)12-14/h1-13H/b10-8+ |
| InChI Key | VWBDGXJRQZDLRV-CSKARUKUSA-N |
| MDL Number | MFCD10617787 |
| Molecular Formula | C18H13NO |
| Molecular Weight | 259.3019 |
| SMILES | O=C(/C=C/C1C=C2C(C=CC=C2)=CC=1)C1C=NC=CC=1 |
| Synonyms | DMU2105,
1821143-79-6,
AC1PFC82,
CHEMBL4059677,
SCHEMBL17233301,
1031063-36-1,
NCGC00320307-01,
HY-101284,
CS-0021083,
AB01147061-03,
AB01147061-04,
(E)-3-naphthalen-2-yl-1-pyridin-3-ylprop-2-en-1-one,
(E)-3-(naphthalen-2-yl)-1-(pyridin-3-yl)prop-2-en-1-one,
ZINC07739644,
CID8854335,
|
| Complexity | 362 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 1 |
| Exact Mass | 259.1g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 20 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 259.308g/mol |
| Monoisotopic Mass | 259.1g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 30A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number