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Home > Other Heterocycles > 807627-79-8
807627-79-8 | Bicyclo[2.2.2]oct-2-ene, 5,6-bis(phenylsulfonyl)-
CAS No: 807627-79-8 Catalog No: AG005J96 MDL No:
Product Description
Catalog Number:
AG005J96
Chemical Name:
Bicyclo[2.2.2]oct-2-ene, 5,6-bis(phenylsulfonyl)-
CAS Number:
807627-79-8
Molecular Formula:
C20H20O4S2
Molecular Weight:
388.5004
IUPAC Name:
5,6-bis(benzenesulfonyl)bicyclo[2.2.2]oct-2-ene
InChI:
InChI=1S/C20H20O4S2/c21-25(22,17-7-3-1-4-8-17)19-15-11-13-16(14-12-15)20(19)26(23,24)18-9-5-2-6-10-18/h1-11,13,15-16,19-20H,12,14H2
InChI Key:
CVIZSRYBTFXZDT-UHFFFAOYSA-N
SMILES:
O=S(=O)(c1ccccc1)C1C2CCC(C1S(=O)(=O)c1ccccc1)C=C2
Properties
Complexity:
666
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
388.08g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
388.496g/mol
Monoisotopic Mass:
388.08g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
85A^2
Undefined Atom Stereocenter Count:
4
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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