CAS 6940-58-5 | 1,3,5-Pentanetricarboxylic Acid , 98% | CAS Number 6940-58-5

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6940-58-5 | 1,3,5-Pentanetricarboxylic Acid , 98%

CAS No: 6940-58-5 Catalog No: AG003DGA MDL No:MFCD00020546

Product Description

Catalog Number:

AG003DGA

Chemical Name:

1,3,5-Pentanetricarboxylic Acid , 98%

CAS Number:

6940-58-5

Molecular Formula:

C8H12O6

Molecular Weight:

204.1773

MDL Number:

MFCD00020546

IUPAC Name:

pentane-1,3,5-tricarboxylic acid

InChI:

InChI=1S/C8H12O6/c9-6(10)3-1-5(8(13)14)2-4-7(11)12/h5H,1-4H2,(H,9,10)(H,11,12)(H,13,14)

InChI Key:

ROTJZTYLACIJIG-UHFFFAOYSA-N

SMILES:

OC(=O)C(CCC(=O)O)CCC(=O)O

EC Number:

230-087-2

NSC Number:

60156

Properties

Complexity:

216

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

204.063g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

204.178g/mol

Monoisotopic Mass:

204.063g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

112A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

-0.5

Literature

Title	Journal
Molecularly imprinted polymer for selective extraction of domoic acid from seafood coupled with high-performance liquid chromatographic determination.	Talanta 20110515
A quartz crystal microbalance sensor based on mussel-inspired molecularly imprinted polymer.	Biosensors & bioelectronics 20101015
Hydrogen-bonding dynamics in aqueous solutions of amides and acids: monomer, dimer, trimer, and polymer.	The journal of physical chemistry. B 20081030
Simple and effective 3D recognition of domoic acid using a molecularly imprinted polymer.	Journal of the American Chemical Society 20071107