AG004USR

855254-76-1 | Diethyl 2,2'-dimethylbiphenyl-4,4'-dicarboxylate

AG004USR

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CAS Number	855254-76-1
Catalog Number	AG004USR(AGN-PC-0WACV1)
Chemical Name	Diethyl 2,2'-dimethylbiphenyl-4,4'-dicarboxylate
IUPAC Name	ethyl 4-(4-ethoxycarbonyl-2-methylphenyl)-3-methylbenzoate
InChI	InChI=1S/C20H22O4/c1-5-23-19(21)15-7-9-17(13(3)11-15)18-10-8-16(12-14(18)4)20(22)24-6-2/h7-12H,5-6H2,1-4H3
InChI Key	NQAJKEFVVKYKNC-UHFFFAOYSA-N
MDL Number	MFCD21333033
Molecular Formula	C20H22O4
Molecular Weight	326.3863
SMILES	CCOC(=O)C1=CC=C(C(C)=C1)C1=CC=C(C=C1C)C(=O)OCC
Synonyms	Diethyl 2,2'-dimethylbiphenyl-4,4'-dicarboxylate, 855254-76-1, ACMC-209q6g, SCHEMBL70169, CTK8B2459, DTXSID10735391, ANW-38198, MFCD21333033, ZINC85483178, DS-9900, AK198302, TC-126943, B-9666, 2,2'-Dimethyl-4,4'-biphenyldicarboxylic acid diethyl ester, Diethyl 2,2'-dimethyl[1,1'-biphenyl]-4,4'-dicarboxylate,

Complexity	393
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	326.152g/mol
Formal Charge	0
Heavy Atom Count	24
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	326.392g/mol
Monoisotopic Mass	326.152g/mol
Rotatable Bond Count	7
Topological Polar Surface Area	52.6A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	4.7

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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