RefChem:1078873
2-[[5-[(E)-3-(4-butoxyphenyl)prop-2-enoyl]-4,7-dimethoxy-1-benzofuran-6-yl]oxy]ethyl-dimethylazanium;2-hydroxy-2-oxoacetate
Also Known As: Benzofuran, 4,7-dimethoxy-6-(2-dimethylaminoethoxy)-5-(p-butoxycinnamoyl)-, oxalate|4,7-Dimethoxy-6-(2-dimethylaminoethoxy)-5-(p-butoxycinnamoyl)benzofuran oxalate|2-[[5-[(E)-3-(4-butoxyphenyl)prop-2-enoyl]-4,7-dimethoxy-1-benzofuran-6-yl]oxy]ethyl-dimethylazanium; 2-hydroxy-2-oxoacetate|2-Propen-1-one, 3-(4-butoxyphenyl)-1-[6-[2-(dimethylamino)ethoxy]-4,7-dimethoxy-5-benzofuranyl]-, ethanedioate (1:1)
| Molecular Formula | C29H35NO10 |
|---|---|
| Molecular Weight | 557.2261 g/mol |
| LogP | 1.8692 |
| Topological Polar Surface Area | 149.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 13 |
| Exact Mass | 557.2261 |
| Monoisotopic Mass | 557.2261 |
| Heavy Atoms | 40 |
| Complexity | 1296.5911 |
Chemical Identifiers
| CAS Number | 41226-33-9 |
|---|---|
| SMILES | CCCCOC1=CC=C(C=C1)/C=C/C(=O)C2=C(C3=C(C(=C2OCC[NH+](C)C)OC)OC=C3)OC.C(=O)(C(=O)[O-])O |
Product Overview
RefChem:1078873 (CAS 41226-33-9), with molecular formula C29H35NO10 and molecular weight 557.2261 g/mol. IUPAC: 2-[[5-[(E)-3-(4-butoxyphenyl)prop-2-enoyl]-4,7-dimethoxy-1-benzofuran-6-yl]oxy]ethyl-dimethylazanium;2-hydroxy-2-oxoacetate.