| CAS Number | 70581-00-9 |
| Catalog Number | AG00FHE8(AGN-PC-0038C1) |
| Chemical Name | 1-[4-(4-PYRIDINYL)PHENYL]-ETHANONE |
| IUPAC Name | 1-(4-pyridin-4-ylphenyl)ethanone |
| InChI | InChI=1S/C13H11NO/c1-10(15)11-2-4-12(5-3-11)13-6-8-14-9-7-13/h2-9H,1H3 |
| InChI Key | LCQWVYDFAHJHLM-UHFFFAOYSA-N |
| MDL Number | MFCD11932665 |
| Molecular Formula | C13H11NO |
| Molecular Weight | 197.2325 |
| SMILES | CC(=O)C1=CC=C(C=C1)C1=CC=NC=C1 |
| Synonyms | 70581-00-9,
1-[4-(4-Pyridinyl)phenyl]-ethanone,
1-[4-(pyridin-4-yl)phenyl]ethan-1-one,
1-[4-(4-pyridinyl)phenyl]Ethanone,
1-(4-(Pyridin-4-yl)phenyl)ethanone,
4-(4-acetylphenyl)pyridine,
4'-(4-Pyridyl)acetophenone,
SCHEMBL1138817,
LCQWVYDFAHJHLM-UHFFFAOYSA-N,
ZINC31997463,
AKOS010309285,
NE15354,
FT-0734566,
Z1295543906,
N/A,
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| Complexity | 213 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 197.084g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 197.237g/mol |
| Monoisotopic Mass | 197.084g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 30A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.3 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number