Dimethyl 4-hydroxy-4'-methoxy-5,6,5',6'-bismethylenedioxybiphenyl-2,2'-dicarboxylate

Base Information

• Chemical Name: Dimethyl 4-hydroxy-4'-methoxy-5,6,5',6'-bismethylenedioxybiphenyl-2,2'-dicarboxylate
• CAS No.: 91828-88-5
• Molecular Formula: C19H16 O10
• Molecular Weight: 404.32434
• DSSTox Substance ID: DTXSID80238708
• Wikidata: Q83120985
• Mol file: 91828-88-5.mol

Synonyms:4-demethyl-BDD;4-DMBDD;7-demethyl-BDD;7-hydroxy-7'-methoxy-4,4'-bis(1,3-benzodioxole)-5,5'-dicarboxylic acid dimethyl ester;dimethyl 4-hydroxy-4'-methoxy-5,6,5',6'-bismethylenedioxybiphenyl-2,2'-dicarboxylate;dimethyl-4-hydroxy-4'-methoxy-5,6,5',6'-dimethylenedioxybiphenyl-2,2'-dicarboxylate;mono-O-demethylated BDD

Chemical Property of Dimethyl 4-hydroxy-4'-methoxy-5,6,5',6'-bismethylenedioxybiphenyl-2,2'-dicarboxylate

Chemical Property:

• Boiling Point: 630.9°Cat760mmHg
• Flash Point: 228.4°C
• PSA: 118.98000
• Density: 1.468g/cm³
• LogP: 2.09840
• XLogP3: 2.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 10
• Rotatable Bond Count: 6
• Exact Mass: 404.07434670
• Heavy Atom Count: 29
• Complexity: 626

Purity/Quality:

Safty Information:

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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=C2C(=C(C(=C1)C(=O)OC)C3=C4C(=C(C=C3C(=O)OC)O)OCO4)OCO2

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