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85391-47-5 | 1,2-Benzenedicarboxylicacid, 1-(2-ethylhexyl) 2-undecyl ester
CAS No: 85391-47-5 Catalog No: AG004OHQ MDL No:
Product Description
Catalog Number:
AG004OHQ
Chemical Name:
1,2-Benzenedicarboxylicacid, 1-(2-ethylhexyl) 2-undecyl ester
CAS Number:
85391-47-5
Molecular Formula:
C27H44O4
Molecular Weight:
432.6359
IUPAC Name:
2-O-(2-ethylhexyl) 1-O-undecyl benzene-1,2-dicarboxylate
InChI:
InChI=1S/C27H44O4/c1-4-7-9-10-11-12-13-14-17-21-30-26(28)24-19-15-16-20-25(24)27(29)31-22-23(6-3)18-8-5-2/h15-16,19-20,23H,4-14,17-18,21-22H2,1-3H3
InChI Key:
JCLYNTWIDKAJSK-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCOC(=O)c1ccccc1C(=O)OCC(CCCC)CC
EC Number:
286-801-8
Properties
Complexity:
462
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
432.324g/mol
Formal Charge:
0
Heavy Atom Count:
31
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
432.645g/mol
Monoisotopic Mass:
432.324g/mol
Rotatable Bond Count:
20
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
9.4
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