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Home > Other Heterocycles > 95271-21-9
95271-21-9 | 2,6,7-Trioxabicyclo[2.2.2]octane, 1,1'-(1,3-phenylene)bis[4-ethyl-
CAS No: 95271-21-9 Catalog No: AG006O4L MDL No:
Product Description
Catalog Number:
AG006O4L
Chemical Name:
2,6,7-Trioxabicyclo[2.2.2]octane, 1,1'-(1,3-phenylene)bis[4-ethyl-
CAS Number:
95271-21-9
Molecular Formula:
C20H26O6
Molecular Weight:
362.4168
IUPAC Name:
4-ethyl-1-[3-(4-ethyl-2,6,7-trioxabicyclo[2.2.2]octan-1-yl)phenyl]-2,6,7-trioxabicyclo[2.2.2]octane
InChI:
InChI=1S/C20H26O6/c1-3-17-9-21-19(22-10-17,23-11-17)15-6-5-7-16(8-15)20-24-12-18(4-2,13-25-20)14-26-20/h5-8H,3-4,9-14H2,1-2H3
InChI Key:
WZULONVYXLXUNI-UHFFFAOYSA-N
SMILES:
CCC12COC(OC1)(OC2)c1cccc(c1)C12OCC(CO1)(CO2)CC
Properties
Complexity:
453
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
362.173g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
362.422g/mol
Monoisotopic Mass:
362.173g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
55.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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