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Home Carboxys 1,3,5-Pentanetricarboxylic acid

1,3,5-Pentanetricarboxylic acid

CAS No.:
6940-58-5
Catalog Number:
AG003DGA
Molecular Formula:
C8H12O6
Molecular Weight:
204.1773
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
5g
>98.0%(GC)(T)
1 week
United States
$241
- +
25g
>98.0%(GC)(T)
1 week
United States
$541
- +
Product Description
Catalog Number:
AG003DGA
Chemical Name:
1,3,5-Pentanetricarboxylic acid
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:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
204.063g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
204.178g/mol
Monoisotopic Mass:
204.063g/mol
Rotatable Bond Count:
7  
Topological Polar Surface Area:
112A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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
Properties