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1,11-Dioxa[11]paracyclophane

Catalog Number
ACM6571513
CAS Number
6571-51-3
Product Name
1,11-Dioxa[11]paracyclophane
Category
Supramolecular Host Materials
IUPAC Name
2,12-dioxabicyclo[11.2.2]heptadeca-1(15),13,16-triene
Molecular Weight
234.33g/mol
Molecular Formula
C15H22O2
Canonical SMILES
C1CCCCOC2=CC=C(C=C2)OCCCC1
InChI
InChI=1S/C15H22O2/c1-2-4-6-12-16-14-8-10-15(11-9-14)17-13-7-5-3-1/h8-11H,1-7,12-13H2
InChI Key
LTROLYACVISZRU-UHFFFAOYSA-N
Complexity
165
Covalently-Bonded Unit Count
1
Exact Mass
234.16198g/mol
Formal Charge
0
Heavy Atom Count
17
Monoisotopic Mass
234.16198g/mol
Rotatable Bond Count
0
XLogP3
4.7
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