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Home > Other Heterocycles > 114396-00-8
114396-00-8 | 2,3-Dioxabicyclo[2.2.2]octane, 1,4-diphenyl-
CAS No: 114396-00-8 Catalog No: AG000B86 MDL No:
Product Description
Catalog Number:
AG000B86
Chemical Name:
2,3-Dioxabicyclo[2.2.2]octane, 1,4-diphenyl-
CAS Number:
114396-00-8
Molecular Formula:
C18H18O2
Molecular Weight:
266.3343
IUPAC Name:
1,4-diphenyl-2,3-dioxabicyclo[2.2.2]octane
InChI:
InChI=1S/C18H18O2/c1-3-7-15(8-4-1)17-11-13-18(14-12-17,20-19-17)16-9-5-2-6-10-16/h1-10H,11-14H2
InChI Key:
BGNVTDDBJXFGJR-UHFFFAOYSA-N
SMILES:
c1ccc(cc1)C12CCC(CC1)(OO2)c1ccccc1
Properties
Complexity:
297
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
266.131g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
266.34g/mol
Monoisotopic Mass:
266.131g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
18.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
Literature
| Title | Journal |
|---|---|
| A radical-anion chain mechanism initiated by dissociative electron transfer to a bicyclic endoperoxide: insight into the fragmentation chemistry of neutral biradicals and distonic radical anions. | Chemistry (Weinheim an der Bergstrasse, Germany) 20080101 |
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