Name: Name:[2,2':6',2''-Terpyridine]-4,4',4''-tricarboxylic acid
Brand: Angene
SKU: AG007PT6
Rating: 90 (10 reviews)

[2,2':6',2''-Terpyridine]-4,4',4''-tricarboxylic acid

CAS No.:

216018-58-5

Catalog Number:

AG007PT6

Molecular Formula:

C18H11N3O6

Molecular Weight:

365.2964

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Product Description

Catalog Number:

AG007PT6

Chemical Name:

[2,2':6',2''-Terpyridine]-4,4',4''-tricarboxylic acid

CAS Number:

216018-58-5

Molecular Formula:

C18H11N3O6

Molecular Weight:

365.2964

MDL Number:

MFCD06796963

IUPAC Name:

2,6-bis(4-carboxypyridin-2-yl)pyridine-4-carboxylic acid

InChI:

InChI=1S/C18H11N3O6/c22-16(23)9-1-3-19-12(5-9)14-7-11(18(26)27)8-15(21-14)13-6-10(17(24)25)2-4-20-13/h1-8H,(H,22,23)(H,24,25)(H,26,27)

InChI Key:

NTXWAWVRPLVLKC-UHFFFAOYSA-N

SMILES:

OC(=O)c1cc(nc(c1)c1nccc(c1)C(=O)O)c1nccc(c1)C(=O)O

Properties

Complexity:

543

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

365.065g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

365.301g/mol

Monoisotopic Mass:

365.065g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

151A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

0.7

Literature

Title	Journal
Photophysical properties of new cyclometalated ruthenium complexes and their use in dye sensitized solar cells.	Dalton transactions (Cambridge, England : 2003) 20120921
Dye molecular structure device open-circuit voltage correlation in Ru(II) sensitizers with heteroleptic tridentate chelates for dye-sensitized solar cells.	Journal of the American Chemical Society 20120502
Theoretical studies on structures and spectroscopic properties of photoelectrochemical cell ruthenium sensitizers, [Ru(Hmtcterpy)(NCS)3]n- (m = 0, 1, 2, and 3; n = 4, 3, 2, and 1).	Inorganic chemistry 20080407

Properties