| CAS Number | 92510-91-3 |
| Catalog Number | AG01EO2D(AGN-PC-0VZTTQ) |
| Chemical Name | F 16915 |
| IUPAC Name | pyridin-3-ylmethyl docosa-4,7,10,13,16,19-hexaenoate |
| InChI | InChI=1S/C28H37NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-23-28(30)31-26-27-22-21-24-29-25-27/h3-4,6-7,9-10,12-13,15-16,18-19,21-22,24-25H,2,5,8,11,14,17,20,23,26H2,1H3 |
| InChI Key | BUWVEXMRBAWBPJ-UHFFFAOYSA-N |
| MDL Number | MFCD30532731 |
| Molecular Formula | C28H37NO2 |
| Molecular Weight | 419.5989 |
| SMILES | C(OCC1=CC=CN=C1)(=O)CC/C=CC/C=CC/C=CC/C=CC/C=CC/C=CCC |
| Synonyms | |
| Complexity | 611 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 419.282g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 31 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 419.609g/mol |
| Monoisotopic Mass | 419.282g/mol |
| Rotatable Bond Count | 17 |
| Topological Polar Surface Area | 39.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 6 |
| XLogP3 | 6.9 |
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