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Structure

Bis(3,5,3',5'-dimethoxydibenzylideneacetone)palladium(0)

CAS
811862-77-8
Catalog Number
ACM811862778
Category
Palladium series catalysts
Molecular Weight
815.224g/mol
Molecular Formula
C42H44O10Pd;

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Specification

Synonyms
bis(3 5 3' 5'-dimethoxydibenzylideneace&; Bis(3,5,3',5 -dimethoxydibenzylideneacetone)palladium(0); bis(3,5,3',5'-dimethoxydibenzylideneacetone)palladium; BIS(3 5 3' 5'-DIMETHOXYDIBENZYLIDENEACE; bis(3,5,3',5'-dimethoxydibenzylideneacetone)palladium(0), pd 13%; 811862-77-8; SC-90668; Bis(3,5,3',5 inverted exclamation marka-dimethoxydibenzylideneacetone)palladium(0); Bis(3,5,3',5'-dimethoxydibenzylideneacetone)palladium(0); DTXSID10584705;
IUPAC Name
(1E,4E)-1,5-bis(3,5-dimethoxyphenyl)penta-1,4-dien-3-one;palladium;
Canonical SMILES
COC1=CC(=CC(=C1)C=CC(=O)C=CC2=CC(=CC(=C2)OC)OC)OC.COC1=CC(=CC(=C1)C=CC(=O)C=CC2=CC(=CC(=C2)OC)OC)OC.[Pd];
InChI
InChI=1S/2C21H22O5.Pd/c2*1-23-18-9-15(10-19(13-18)24-2)5-7-17(22)8-6-16-11-20(25-3)14-21(12-16)26-4;/h2*5-14H,1-4H3;/b2*7-5+,8-6+;;
InChI Key
RTGAJOPJZJDWAX-XVGSOSPHSA-N;
Application
suzuki reaction
Complexity
421
Covalently-Bonded Unit Count
3
Defined Bond Stereocenter Count
4
Exact Mass
814.197g/mol
H-Bond Acceptor
10
Heavy Atom Count
53
Monoisotopic Mass
814.197g/mol
Rotatable Bond Count
16
Topological Polar Surface Area
108A^2
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