1,3,5-Benzenetricarboxylic acid, diethyl ester


Chemical Name: 1,3,5-Benzenetricarboxylic acid, diethyl ester
CAS Number: 4105-93-5
Product Number: AG003PF1(AGN-PC-03REW7)
Synonyms:
MDL No:
Molecular Formula: C13H13O6-
Molecular Weight: 265.23872

Identification/Properties


Computed Properties
Molecular Weight:
265.241g/mol
XLogP3:
2.5
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
6
Rotatable Bond Count:
6
Exact Mass:
265.071g/mol
Monoisotopic Mass:
265.071g/mol
Topological Polar Surface Area:
92.7A^2
Heavy Atom Count:
19
Formal Charge:
-1
Complexity:
320
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

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NMR Spectrum


Other Analytical Data


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