| CAS Number | 885229-37-8 |
| Catalog Number | AG00H1IC(AGN-PC-0A1YYJ) |
| Chemical Name | 1-(6-Ethoxypyridin-3-yl)ethanone |
| IUPAC Name | 1-(6-ethoxypyridin-3-yl)ethanone |
| InChI | InChI=1S/C9H11NO2/c1-3-12-9-5-4-8(6-10-9)7(2)11/h4-6H,3H2,1-2H3 |
| InChI Key | LFEYSMHPKSICTR-UHFFFAOYSA-N |
| MDL Number | MFCD11553454 |
| Molecular Formula | C9H11NO2 |
| Molecular Weight | 165.1891 |
| SMILES | CC(C1=CC=C(OCC)N=C1)=O |
| Synonyms | 1-(6-ethoxypyridin-3-yl)ethanone,
885229-37-8,
3-Acetyl-6-ethoxypyridine,
SCHEMBL1092552,
1-(6-ethoxy-3-pyridinyl)-Ethanone,
MFCD11553454,
ZINC43502096,
AKOS006324110,
1-(6-ethoxypyridin-3-yl)ethan-1-one,
DS-9802,
Ethanone, 1-(6-ethoxy-3-pyridinyl)-,
AK160899,
AJ-108675,
4CH-023396,
ST24037485,
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| Complexity | 159 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 165.079g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 165.192g/mol |
| Monoisotopic Mass | 165.079g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 39.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.2 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number