dimethyl 2-[2,6-bis...

dimethyl 2-[2,6-bis(methoxycarbonyl)phenyl]benzene-1,3-dicarboxylate 52657-21-3

dimethyl 2-[2,6-bis(methoxycarbonyl)phenyl]benzene-1,3-dicarboxylate 52657-21-3

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1 Gram

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  • Min.Order :1 Gram
  • Purity: 99%
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Keywords

dimethyl 2-[2,6-bis(methoxycarbonyl)phenyl]benzene-1,3-dicarboxylate 52657-21-3 98%

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  • Appearance:Solid
  • Application:Organic Chemicals
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  • ProductionCapacity:10|Kilogram|Month
  • Storage:Room Temperature
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Details:

Identification and Related Records
【Name】
tetramethyl biphenyl-2,2',6,6'-tetracarboxylate
【Iupac name】
dimethyl 2-[2,6-bis(methoxycarbonyl)phenyl]benzene-1,3-dicarboxylate
【CAS Registry number】
52657-21-3
【Synonyms】
Biphenyl-2,2',6,6'-tetracarboxylic acid, tetramethyl ester
Tetramethyl [1,1'-biphenyl]-2,2',6,6'-tetracarboxylate
【Molecular Formula】
C20H18O8 (Products with the same molecular formula)
【Molecular Weight】
386.3521
【Inchi】
InChI=1/C20H18O8/c1-25-17(21)11-7-5-8-12(18(22)26-2)15(11)16-13(19(23)27-3)9-6-10-14(16)20(24)28-4/h5-10H,1-4H3
【Canonical SMILES】
COC(=O)C1=C(C(=CC=C1)C(=O)OC)C2=C(C=CC=C2C(=O)OC)C(=O)OC
【MOL File】
52657-21-3.mol
Chemical and Physical Properties
【Density】
1.261g/cm3
【Boiling Point】
538.3°C at 760 mmHg
【Refractive Index】
1.552
【Flash Point】
235.6°C
【Computed Properties】
Molecular Weight:386.35212 [g/mol]
Molecular Formula:C20H18O8
XLogP3-AA:3
H-Bond Donor:0
H-Bond Acceptor:8
Rotatable Bond Count:9
Exact Mass:386.100168
MonoIsotopic Mass:386.100168
Topological Polar Surface Area:105
Heavy Atom Count:28
Formal Charge:0
Complexity:501
Isotope Atom Count:0
Defined Atom Stereocenter Count:0
Undefined Atom Stereocenter Count:0
Defined Bond Stereocenter Count:0
Undefined Bond Stereocenter Count:0
Covalently-Bonded Unit Count:1
Feature 3D Acceptor Count:4
Feature 3D Ring Count:2
Effective Rotor Count:9
Conformer Sampling RMSD:1
CID Conformer Count:3

 

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