Ethyl 2-(6,7-dimethoxy-3,4-dihydroisoquinolin-1(2H)-ylidene)acetate

Base Information

• Chemical Name: Ethyl 2-(6,7-dimethoxy-3,4-dihydroisoquinolin-1(2H)-ylidene)acetate
• CAS No.: 40129-54-2
• Molecular Formula: C₁₅H₁₉NO₄
• Molecular Weight: 277.32
• DSSTox Substance ID: DTXSID80461357
• Nikkaji Number: J921.830K
• Wikidata: Q82285658
• Mol file: 40129-54-2.mol

Synonyms:40129-54-2;Ethyl 2-(6,7-dimethoxy-3,4-dihydroisoquinolin-1(2H)-ylidene)acetate;DTXSID80461357;Ethyl2-(6,7-dimethoxy-3,4-dihydroisoquinolin-1(2H)-ylidene)acetate;ethyl (2Z)-(6,7-dimethoxy-3,4-dihydro-1(2H)-isoquinolinylidene)ethanoate

Chemical Property of Ethyl 2-(6,7-dimethoxy-3,4-dihydroisoquinolin-1(2H)-ylidene)acetate

Chemical Property:

• XLogP3: 2.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 5
• Exact Mass: 277.13140809
• Heavy Atom Count: 20
• Complexity: 369

Purity/Quality:

98.5% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(=O)C=C1C2=CC(=C(C=C2CCN1)OC)OC
• Isomeric SMILES: CCOC(=O)/C=C\1/C2=CC(=C(C=C2CCN1)OC)OC