| CAS Number | 85727-04-4 |
| Catalog Number | AG008GU8(AGN-PC-00IZN5) |
| Chemical Name | (1,3-Dioxan-5-yl)(pyridin-3-yl)methanone |
| EC Number | 288-445-9 |
| IUPAC Name | 1,3-dioxan-5-yl(pyridin-3-yl)methanone |
| InChI | InChI=1S/C10H11NO3/c12-10(8-2-1-3-11-4-8)9-5-13-7-14-6-9/h1-4,9H,5-7H2 |
| InChI Key | AXYFGZWOQMDXSW-UHFFFAOYSA-N |
| MDL Number | MFCD30603929 |
| Molecular Formula | C10H11NO3 |
| Molecular Weight | 193.1992 |
| SMILES | O=C(C1COCOC1)c1cccnc1 |
| Synonyms | 85727-04-4,
1,3-Dioxan-5-yl 3-pyridyl ketone,
(1,3-dioxan-5-yl)(pyridin-3-yl)methanone,
EINECS 288-445-9,
SCHEMBL9768803,
CTK3E9561,
DTXSID40235036,
5-(3-Pyridylcarbonyl)-m-dioxane,
AXYFGZWOQMDXSW-UHFFFAOYSA-N,
AKOS030616975,
1,3-Dioxan-5-yl(3-pyridinyl) ketone,
1,3-Dioxan-5-yl(pyridin-3-yl)methanone,
CS-0059713,
C10-H11-N-O3,
CID11970996,
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| Complexity | 202 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 193.074g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 193.202g/mol |
| Monoisotopic Mass | 193.074g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 48.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0 |
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Certificate of Analysis
Lot Number