AC1O5HMZ
2-[[5-[3-(3,4-dichlorophenyl)-1-hydroxypropyl]-4,7-dimethoxy-1-benzofuran-6-yl]oxy]ethyl-dimethylazanium;(Z)-4-hydroxy-4-oxobut-2-enoate
Also Known As: 5-Benzofuranmethanol, alpha-(2-(3,4-dichlorophenyl)ethyl)-4,7-dimethoxy-6-(2-(dimethylamino)ethoxy)-, maleate (1:1) (salt)|5-BENZOFURANMETHANOL, alpha-(2-(3,4-DICHLOROPHENYL)ETHYL)-4,7-DIMETHOXY-6-(2-(DI|2-[[5-[3-(3,4-dichlorophenyl)-1-hydroxypropyl]-4,7-dimethoxy-1-benzofuran-6-yl]oxy]ethyl-dimethylazanium; (Z)-4-hydroxy-4-oxobut-2-enoate|5-Benzofuranmethanol, alpha-(2-(3,4-dichlorophenyl)ethyl)-4,7-dimethoxy-6-(2-(dimethylamino)ethoxy)-, maleate (1:1)
| Molecular Formula | C27H31Cl2NO9 |
|---|---|
| Molecular Weight | 583.1376 g/mol |
| LogP | 2.3234 |
| Topological Polar Surface Area | 142.93 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 12 |
| Exact Mass | 583.1376 |
| Monoisotopic Mass | 583.1376 |
| Heavy Atoms | 39 |
| Complexity | 1288.14 |
Chemical Identifiers
| CAS Number | 40680-83-9 |
|---|---|
| SMILES | C[NH+](C)CCOC1=C(C2=C(C=CO2)C(=C1C(CCC3=CC(=C(C=C3)Cl)Cl)O)OC)OC.C(=C\C(=O)[O-])\C(=O)O |
Product Overview
AC1O5HMZ (CAS 40680-83-9), with molecular formula C27H31Cl2NO9 and molecular weight 583.1376 g/mol. IUPAC: 2-[[5-[3-(3,4-dichlorophenyl)-1-hydroxypropyl]-4,7-dimethoxy-1-benzofuran-6-yl]oxy]ethyl-dimethylazanium;(Z)-4-hydroxy-4-oxobut-2-enoate.
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