AC1O5HQT
2-[[5-[(E)-3-(4-ethoxyphenyl)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-ethoxycinnamoyl)-, oxalate|4,7-Dimethoxy-6-(2-dimethylaminoethoxy)-5-(p-ethoxycinnamoyl)benzofuran oxalate|2-[[5-[(E)-3-(4-ethoxyphenyl)prop-2-enoyl]-4,7-dimethoxy-1-benzofuran-6-yl]oxy]ethyl-dimethylazanium; 2-hydroxy-2-oxoacetate|2-Propen-1-one, 1-[6-[2-(dimethylamino)ethoxy]-4,7-dimethoxy-5-benzofuranyl]-3-(4-ethoxyphenyl)-, ethanedioate (1:1)
| Molecular Formula | C27H31NO10 |
|---|---|
| Molecular Weight | 529.1948 g/mol |
| LogP | 1.089 |
| Topological Polar Surface Area | 149.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 11 |
| Exact Mass | 529.1948 |
| Monoisotopic Mass | 529.1948 |
| Heavy Atoms | 38 |
| Complexity | 1263.2455 |
Chemical Identifiers
| CAS Number | 41226-28-2 |
|---|---|
| SMILES | CCOC1=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
AC1O5HQT (CAS 41226-28-2), with molecular formula C27H31NO10 and molecular weight 529.1948 g/mol. IUPAC: 2-[[5-[(E)-3-(4-ethoxyphenyl)prop-2-enoyl]-4,7-dimethoxy-1-benzofuran-6-yl]oxy]ethyl-dimethylazanium;2-hydroxy-2-oxoacetate.