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144190-29-4

144190-29-4 | 1,8,9,16-Hexadecanetetracarboxylic acid, 1,8,9,16-tetramethyl ester

CAS No: 144190-29-4 Catalog No: AG001J3M MDL No:

Product Description

Catalog Number:
AG001J3M
Chemical Name:
1,8,9,16-Hexadecanetetracarboxylic acid, 1,8,9,16-tetramethyl ester
CAS Number:
144190-29-4
Molecular Formula:
C24H42O8
Molecular Weight:
458.5855
IUPAC Name:
tetramethyl hexadecane-1,8,9,16-tetracarboxylate
InChI:
InChI=1S/C24H42O8/c1-29-21(25)17-13-9-5-7-11-15-19(23(27)31-3)20(24(28)32-4)16-12-8-6-10-14-18-22(26)30-2/h19-20H,5-18H2,1-4H3
InChI Key:
GWZIJOFCJPBECR-UHFFFAOYSA-N
SMILES:
COC(=O)C(C(C(=O)OC)CCCCCCCC(=O)OC)CCCCCCCC(=O)OC

Properties

Complexity:
498  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
458.288g/mol
Formal Charge:
0
Heavy Atom Count:
32  
Hydrogen Bond Acceptor Count:
8  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
458.592g/mol
Monoisotopic Mass:
458.288g/mol
Rotatable Bond Count:
23  
Topological Polar Surface Area:
105A^2
Undefined Atom Stereocenter Count:
2  
Undefined Bond Stereocenter Count:
0
XLogP3:
5.4  

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