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138145-30-9 | 1,2-Ethanedione, 1,2-bis[3,4-bis(dodecyloxy)phenyl]-
CAS No: 138145-30-9 Catalog No: AG001824 MDL No:
Product Description
Catalog Number:
AG001824
Chemical Name:
1,2-Ethanedione, 1,2-bis[3,4-bis(dodecyloxy)phenyl]-
CAS Number:
138145-30-9
Molecular Formula:
C62H106O6
Molecular Weight:
947.5014
IUPAC Name:
1,2-bis(3,4-didodecoxyphenyl)ethane-1,2-dione
InChI:
InChI=1S/C62H106O6/c1-5-9-13-17-21-25-29-33-37-41-49-65-57-47-45-55(53-59(57)67-51-43-39-35-31-27-23-19-15-11-7-3)61(63)62(64)56-46-48-58(66-50-42-38-34-30-26-22-18-14-10-6-2)60(54-56)68-52-44-40-36-32-28-24-20-16-12-8-4/h45-48,53-54H,5-44,49-52H2,1-4H3
InChI Key:
YLXKHOZJSYKKPW-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCCOc1cc(ccc1OCCCCCCCCCCCC)C(=O)C(=O)c1ccc(c(c1)OCCCCCCCCCCCC)OCCCCCCCCCCCC
Properties
Complexity:
1010
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
946.799g/mol
Formal Charge:
0
Heavy Atom Count:
68
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
947.524g/mol
Monoisotopic Mass:
946.799g/mol
Rotatable Bond Count:
51
Topological Polar Surface Area:
71.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
25.1
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