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Home > Other Heterocycles > 114396-01-9
114396-01-9 | 2,3-Dioxabicyclo[2.2.2]octane, 1,4-bis(4-methoxyphenyl)-
CAS No: 114396-01-9 Catalog No: AG000B85 MDL No:
Product Description
Catalog Number:
AG000B85
Chemical Name:
2,3-Dioxabicyclo[2.2.2]octane, 1,4-bis(4-methoxyphenyl)-
CAS Number:
114396-01-9
Molecular Formula:
C20H22O4
Molecular Weight:
326.3863
IUPAC Name:
1,4-bis(4-methoxyphenyl)-2,3-dioxabicyclo[2.2.2]octane
InChI:
InChI=1S/C20H22O4/c1-21-17-7-3-15(4-8-17)19-11-13-20(14-12-19,24-23-19)16-5-9-18(22-2)10-6-16/h3-10H,11-14H2,1-2H3
InChI Key:
HCXCIOGPIUHGLV-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)C12CCC(CC1)(OO2)c1ccc(cc1)OC
Properties
Complexity:
373
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
326.152g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
326.392g/mol
Monoisotopic Mass:
326.152g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
36.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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