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6940-58-5,MFCD00020546
Catalog No.:AA003DDI

6940-58-5 | 1,3,5-Pentanetricarboxylic acid

Pack Size
Purity
Availability
Price(USD)
Quantity
  
1g
98%
in stock  
$38.00   $27.00
- +
5g
98%
in stock  
$106.00   $75.00
- +
25g
98%
in stock  
$350.00   $245.00
- +
100g
98%
in stock  
$1,142.00   $799.00
- +
  • Technical Information
  • Properties
  • Upstream Synthesis Route
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
  • Technical Information
  • Properties
  • Upstream Synthesis Route
  • Downstream Synthesis Route
  • Literature
Technical Information
Catalog Number:
AA003DDI
Chemical Name:
1,3,5-Pentanetricarboxylic acid
CAS Number:
6940-58-5
Molecular Formula:
C8H12O6
Molecular Weight:
204.1773
MDL Number:
MFCD00020546
SMILES:
OC(=O)C(CCC(=O)O)CCC(=O)O
NSC Number:
60156
Properties
Properties
 
BP:
409.9°C at 760 mmHg  
Form:
Solid  
MP:
113°C  
Storage:
Keep in dry area;Room Temperature;  

Computed Properties
 
Complexity:
216  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
3  
Rotatable Bond Count:
7  
XLogP3:
-0.5  

Upstream Synthesis Route

[1]IndianJournalofChemistry,SectionB:OrganicChemistryIncludingMedicinalChemistry,1981,vol.<B>20,#4,p.339-340

[1]JournaloftheChemicalSociety,1904,vol.85,p.422

Downstream Synthesis Route

[1]Patent:WO2015/4455,2015,A2.Locationinpatent:Page/Pagecolumn39

[2]JournaloftheAmericanChemicalSociety,1958,vol.80,p.5779,5782

[3]JournalofOrganicChemistry,1969,vol.34,p.2141-2145

[1]Patent:DE909809,1951,

[1]HelveticaChimicaActa,1998,vol.81,p.46-58

[2]JournalofOrganicChemistry,1955,vol.20,p.1702,1707

[3]JournalofOrganicChemistry,1955,vol.20,p.1702,1707

[1]JournaloftheChemicalSociety,1904,vol.85,p.422

[2]JournalofPhysicalChemistry,1995,vol.99,p.5713-5723

[3]IndianJournalofChemistry-SectionBOrganicandMedicinalChemistry,1981,vol.<B>20,p.339-340

[1]JournaloftheChemicalSociety,1906,vol.89,p.1647

Literature

Title: Molecularly imprinted polymer for selective extraction of domoic acid from seafood coupled with high-performance liquid chromatographic determination.

Journal: Talanta 20110515

Title: A quartz crystal microbalance sensor based on mussel-inspired molecularly imprinted polymer.

Journal: Biosensors & bioelectronics 20101015

Title: Hydrogen-bonding dynamics in aqueous solutions of amides and acids: monomer, dimer, trimer, and polymer.

Journal: The journal of physical chemistry. B 20081030

Title: Simple and effective 3D recognition of domoic acid using a molecularly imprinted polymer.

Journal: Journal of the American Chemical Society 20071107

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SDS
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