CAS 10198-89-7 | 1,3-Propanedione, 1,3-di-2-pyridinyl- | CAS Number 10198-89-7

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10198-89-7 | 1,3-Propanedione, 1,3-di-2-pyridinyl-

CAS No: 10198-89-7 Catalog No: AG000668 MDL No:MFCD01321157

Product Description

Catalog Number:

AG000668

Chemical Name:

1,3-Propanedione, 1,3-di-2-pyridinyl-

CAS Number:

10198-89-7

Molecular Formula:

C13H10N2O2

Molecular Weight:

226.2307

MDL Number:

MFCD01321157

IUPAC Name:

1,3-dipyridin-2-ylpropane-1,3-dione

InChI:

InChI=1S/C13H10N2O2/c16-12(10-5-1-3-7-14-10)9-13(17)11-6-2-4-8-15-11/h1-8H,9H2

InChI Key:

DCGUVLMWGIPVDP-UHFFFAOYSA-N

SMILES:

O=C(c1ccccn1)CC(=O)c1ccccn1

Properties

Complexity:

263

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

226.074g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

226.235g/mol

Monoisotopic Mass:

226.074g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

59.9A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.6

Literature

Title	Journal
Microwave-assisted synthesis of a ferrimagnetic dodecanuclear iron(III) complex with a Fe4(OH)4 cubane core.	Inorganic chemistry 20110321
Synthesis and characterization of homo- and heterovalent tetra- hexa- hepta- and decanuclear manganese clusters using pyridyl functionalized beta-diketone, carboxylate and triethanolamine ligands.	Dalton transactions (Cambridge, England : 2003) 20100821