| CAS Number | 1809098-73-4 |
| Catalog Number | AG01DIUM |
| Chemical Name | 1-{6-[2-methoxy-4-(prop-2-en-1-yl)phenoxy]pyridin-3-yl}ethan-1-one |
| IUPAC Name | 1-[6-(2-methoxy-4-prop-2-enylphenoxy)pyridin-3-yl]ethanone |
| InChI | InChI=1S/C17H17NO3/c1-4-5-13-6-8-15(16(10-13)20-3)21-17-9-7-14(11-18-17)12(2)19/h4,6-11H,1,5H2,2-3H3 |
| InChI Key | LXHJEIACIJEARM-UHFFFAOYSA-N |
| MDL Number | MFCD31652827 |
| Molecular Formula | C17H17NO3 |
| Molecular Weight | 283.3218 |
| SMILES | COc1cc(CC=C)ccc1Oc1ccc(cn1)C(C)=O |
| Synonyms | 5-Acetyl-2-(4-allyl-2-methoxyphenoxy) pyridine,
1809098-73-4,
CS-0059920,
1-(6-(4-Allyl-2-methoxyphenoxy)pyridin-3-yl)ethan-1-one,
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| Complexity | 358 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 283.121g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 21 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 283.327g/mol |
| Monoisotopic Mass | 283.121g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 48.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.4 |
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Certificate of Analysis
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