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876665-85-9 | Decanedioic acid, 2-ethylhexyl 2-(4-nonylphenoxy)ethyl ester
CAS No: 876665-85-9 Catalog No: AG004KVG MDL No:
Product Description
Catalog Number:
AG004KVG
Chemical Name:
Decanedioic acid, 2-ethylhexyl 2-(4-nonylphenoxy)ethyl ester
CAS Number:
876665-85-9
Molecular Formula:
C35H60O5
Molecular Weight:
560.8479
IUPAC Name:
10-O-(2-ethylhexyl) 1-O-[2-(4-nonylphenoxy)ethyl] decanedioate
InChI:
InChI=1S/C35H60O5/c1-4-7-9-10-11-14-17-21-32-24-26-33(27-25-32)38-28-29-39-34(36)22-18-15-12-13-16-19-23-35(37)40-30-31(6-3)20-8-5-2/h24-27,31H,4-23,28-30H2,1-3H3
InChI Key:
HEFOCLGGCPAJPS-UHFFFAOYSA-N
SMILES:
CCCCCCCCCc1ccc(cc1)OCCOC(=O)CCCCCCCCC(=O)OCC(CCCC)CC
Properties
Complexity:
584
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
560.444g/mol
Formal Charge:
0
Heavy Atom Count:
40
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
560.86g/mol
Monoisotopic Mass:
560.444g/mol
Rotatable Bond Count:
29
Topological Polar Surface Area:
61.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
12.1
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