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114629-86-6 | 1,2,3-Propanetricarboxylic acid, 2-methyl-, 1,2,3-tridecyl ester
CAS No: 114629-86-6 Catalog No: AG000EW2 MDL No:
Product Description
Catalog Number:
AG000EW2
Chemical Name:
1,2,3-Propanetricarboxylic acid, 2-methyl-, 1,2,3-tridecyl ester
CAS Number:
114629-86-6
Molecular Formula:
C37H70O6
Molecular Weight:
610.9481
IUPAC Name:
tris-decyl 2-methylpropane-1,2,3-tricarboxylate
InChI:
InChI=1S/C37H70O6/c1-5-8-11-14-17-20-23-26-29-41-34(38)32-37(4,36(40)43-31-28-25-22-19-16-13-10-7-3)33-35(39)42-30-27-24-21-18-15-12-9-6-2/h5-33H2,1-4H3
InChI Key:
XIJJYGPJPAWPTG-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCOC(=O)C(CC(=O)OCCCCCCCCCC)(CC(=O)OCCCCCCCCCC)C
Properties
Complexity:
626
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
610.517g/mol
Formal Charge:
0
Heavy Atom Count:
43
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
610.961g/mol
Monoisotopic Mass:
610.517g/mol
Rotatable Bond Count:
35
Topological Polar Surface Area:
78.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
13.6
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