CAS 1762-42-1 | [2,2'-Bipyridine]-4,4'-dicarboxylic acid, 4,4'-diethyl ester | CAS Number 1762-42-1

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1762-42-1 | [2,2'-Bipyridine]-4,4'-dicarboxylic acid, 4,4'-diethyl ester

CAS No: 1762-42-1 Catalog No: AG0024H0 MDL No:MFCD06204732

Product Description

Catalog Number:

AG0024H0

Chemical Name:

[2,2'-Bipyridine]-4,4'-dicarboxylic acid, 4,4'-diethyl ester

CAS Number:

1762-42-1

Molecular Formula:

C16H16N2O4

Molecular Weight:

300.3092

MDL Number:

MFCD06204732

IUPAC Name:

ethyl 2-(4-ethoxycarbonylpyridin-2-yl)pyridine-4-carboxylate

InChI:

InChI=1S/C16H16N2O4/c1-3-21-15(19)11-5-7-17-13(9-11)14-10-12(6-8-18-14)16(20)22-4-2/h5-10H,3-4H2,1-2H3

InChI Key:

CTXJVXIVHPUFIP-UHFFFAOYSA-N

SMILES:

CCOC(=O)c1ccnc(c1)c1nccc(c1)C(=O)OCC

Properties

Complexity:

352

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

300.111g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

300.314g/mol

Monoisotopic Mass:

300.111g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

78.4A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.9

Literature

Title	Journal
Influence of the nature of the absorption band on the potential performance of high molar extinction coefficient ruthenium(II) polypyridinic complexes as dyes for sensitized solar cells.	Inorganic chemistry 20110704
Bis(2,2'-bipyridine){ethyl 4'-[N-(4-carbamoylphen-yl)carbamo-yl]-2,2'-bi-pyridine-4-carboxyl-ate}ruthenium(II) bis-[hexa-fluorido-phosphate(V)].	Acta crystallographica. Section E, Structure reports online 20090201
Decarboxylation of 2,2'-bipyridinyl-4,4'-dicarboxylic acid diethyl ester during microwave synthesis of the corresponding trichelated ruthenium complex.	Inorganic chemistry 20060515
Preparations and characterizations of bichromophoric systems composed of a ruthenium polypyridine complex connected to a difluoroborazaindacene or a zinc phthalocyanine chromophore.	Inorganic chemistry 20050808