AG00G4P8

811862-77-8 | Bis(3,5,3′,5′-dimethoxydibenzylideneacetone)palladium(0)

AG00G4P8

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CAS Number	811862-77-8
Catalog Number	AG00G4P8(AGN-PC-0UIZ9J)
Chemical Name	Bis(3,5,3′,5′-dimethoxydibenzylideneacetone)palladium(0)
IUPAC Name	(1E,4E)-1,5-bis(3,5-dimethoxyphenyl)penta-1,4-dien-3-one;palladium
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
MDL Number	MFCD07369799
Molecular Formula	C42H44O10Pd
Molecular Weight	815.2128
SMILES	O=C(/C=C/C1=CC(OC)=CC(OC)=C1)/C=C/C2=CC(OC)=CC(OC)=C2.O=C(/C=C/C3=CC(OC)=CC(OC)=C3)/C=C/C4=CC(OC)=CC(OC)=C4.[Pd]
Synonyms	811862-77-8, Bis(3,5,3',5'-dimethoxydibenzylideneacetone)palladium(0), bis(3,5,3',5'-dimethoxydibenzylideneacetone)palladium, Pd(dmdba)2, Bis(3,5,3 inverted exclamation marka,5 inverted exclamation marka-dimethoxydibenzylideneacetone)palladium(0), DTXSID10584705, BCP21889, Bis(3,5,3',5 inverted exclamation marka-dimethoxydibenzylideneacetone)palladium(0), dimethoxydibenzylideneacetone)palladium(0), SC-90668, bis(3 5 3' 5'-dimethoxydibenzylideneace&, BIS(3 5 3' 5'-DIMETHOXYDIBENZYLIDENEACE, BIS(3 5 3' 5'-DIMETHOXYDIBENZYLIDENEACEamp, J-519870, I14-60135, bis(3,5,3',5 inverted exclamation marka-dimethoxydibenz, Bis(3,5,3',5?-dimethoxydibenzylideneacetone)palladium(0), bis(3,5,3',5'-dimethoxydibenzylideneacetone)palladium(0), pd 13%, bis[(1e,4e)-1,5-bis(3,5-dimethoxyphenyl) inverted exclamation mark-, (1E,4E)-1,5-Bis(3,5-dimethoxyphenyl)penta-1,4-dien-3-one--palladium (2/1), palladium,bis[(1e,4e)-(1,2,4,5-h)-1,5-bis(3,5-dimethoxyphenyl)-1,4-pentadien-3-one]-, ACN-034862, Bis(3,5,3',5'-dimethoxydibenzylideneacetone)palladium(0) 1g,

Complexity	421
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	3
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	4
Exact Mass	814.197g/mol
Formal Charge	0
Heavy Atom Count	53
Hydrogen Bond Acceptor Count	10
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	815.224g/mol
Monoisotopic Mass	814.197g/mol
Rotatable Bond Count	16
Topological Polar Surface Area	108A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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