CAS 15383-49-0 | Cyclohexane-1,2,4,5-tetracarboxylic acid | CAS Number 15383-49-0

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15383-49-0 | Cyclohexane-1,2,4,5-tetracarboxylic acid

CAS No: 15383-49-0 Catalog No: AG003P4G MDL No:MFCD00435556

Product Description

Catalog Number:

AG003P4G

Chemical Name:

Cyclohexane-1,2,4,5-tetracarboxylic acid

CAS Number:

15383-49-0

Molecular Formula:

C10H12O8

Molecular Weight:

260.1975

MDL Number:

MFCD00435556

IUPAC Name:

cyclohexane-1,2,4,5-tetracarboxylic acid

InChI:

InChI=1S/C10H12O8/c11-7(12)3-1-4(8(13)14)6(10(17)18)2-5(3)9(15)16/h3-6H,1-2H2,(H,11,12)(H,13,14)(H,15,16)(H,17,18)

InChI Key:

ZPAKUZKMGJJMAA-UHFFFAOYSA-N

SMILES:

OC(=O)C1CC(C(=O)O)C(CC1C(=O)O)C(=O)O

Properties

Complexity:

327

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

260.053g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

260.198g/mol

Monoisotopic Mass:

260.053g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

149A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

-1.2

Literature

Title	Journal
Two new 1,2,4,5-cyclohexanetetracarboxylate-bridged frameworks with metal hydroxide subunits. Synthesis, structures, magnetism and adsorption.	Dalton transactions (Cambridge, England : 2003) 20110414
4,4'-Bipyridine-cyclo-hexane-1,2,4,5-tetra-carb-oxy-lic acid (1/1).	Acta crystallographica. Section E, Structure reports online 20101101
Conformation preference of a flexible cyclohexanetetracarboxylate ligand in three new metal-organic frameworks: structures, magnetic and luminescent properties.	Inorganic chemistry 20090803