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72361-35-4 | 1,2,4-Benzenetricarboxylicacid, 1,2,4-triisotridecyl ester
CAS No: 72361-35-4 Catalog No: AG005HZL MDL No:
Product Description
Catalog Number:
AG005HZL
Chemical Name:
1,2,4-Benzenetricarboxylicacid, 1,2,4-triisotridecyl ester
CAS Number:
72361-35-4
Molecular Formula:
C48H84O6
Molecular Weight:
757.1770
IUPAC Name:
tris(11-methyldodecyl) benzene-1,2,4-tricarboxylate
InChI:
InChI=1S/C48H84O6/c1-40(2)31-25-19-13-7-10-16-22-28-36-52-46(49)43-34-35-44(47(50)53-37-29-23-17-11-8-14-20-26-32-41(3)4)45(39-43)48(51)54-38-30-24-18-12-9-15-21-27-33-42(5)6/h34-35,39-42H,7-33,36-38H2,1-6H3
InChI Key:
IGQFKXMQIMEIJV-UHFFFAOYSA-N
SMILES:
CC(CCCCCCCCCCOC(=O)c1cc(ccc1C(=O)OCCCCCCCCCCC(C)C)C(=O)OCCCCCCCCCCC(C)C)C
EC Number:
276-594-2
Properties
Complexity:
898
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
756.627g/mol
Formal Charge:
0
Heavy Atom Count:
54
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
757.194g/mol
Monoisotopic Mass:
756.627g/mol
Rotatable Bond Count:
39
Topological Polar Surface Area:
78.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
19
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