AC1O5HMZ structure

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)

CAS: 40680-83-9
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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Safety Data Sheet (MSDS / SDS) View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.
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