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Home > Other Heterocycles > 70636-96-3
70636-96-3 | 2,6,7-Trioxabicyclo[2.2.2]octane,1,4-dibutyl-
CAS No: 70636-96-3 Catalog No: AG005H7H MDL No:
Product Description
Catalog Number:
AG005H7H
Chemical Name:
2,6,7-Trioxabicyclo[2.2.2]octane,1,4-dibutyl-
CAS Number:
70636-96-3
Molecular Formula:
C13H24O3
Molecular Weight:
228.3279
IUPAC Name:
1,4-dibutyl-2,6,7-trioxabicyclo[2.2.2]octane
InChI:
InChI=1S/C13H24O3/c1-3-5-7-12-9-14-13(15-10-12,16-11-12)8-6-4-2/h3-11H2,1-2H3
InChI Key:
RGVKKPSIJLTRCD-UHFFFAOYSA-N
SMILES:
CCCCC12OCC(CO1)(CO2)CCCC
Properties
Complexity:
203
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
228.173g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
228.332g/mol
Monoisotopic Mass:
228.173g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
27.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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