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Home > Other Heterocycles > 67592-95-4
67592-95-4 | 2,5,7,8-Tetraoxabicyclo[4.2.0]octane, 1,6-diphenyl-
CAS No: 67592-95-4 Catalog No: AG006DIN MDL No:
Product Description
Catalog Number:
AG006DIN
Chemical Name:
2,5,7,8-Tetraoxabicyclo[4.2.0]octane, 1,6-diphenyl-
CAS Number:
67592-95-4
Molecular Formula:
C16H14O4
Molecular Weight:
270.2800
IUPAC Name:
1,6-diphenyl-2,5,7,8-tetraoxabicyclo[4.2.0]octane
InChI:
InChI=1S/C16H14O4/c1-3-7-13(8-4-1)15-16(20-19-15,18-12-11-17-15)14-9-5-2-6-10-14/h1-10H,11-12H2
InChI Key:
KVYXTKJEHUXANB-UHFFFAOYSA-N
SMILES:
c1ccc(cc1)C12OCCOC2(OO1)c1ccccc1
Properties
Complexity:
314
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
270.089g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
270.284g/mol
Monoisotopic Mass:
270.089g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
36.9A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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