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Home > Other Heterocycles > 174969-02-9
174969-02-9 | 6,7-Dioxa-3-thiabicyclo[3.2.2]nonane, 1,5-diphenyl-, 3,3-dioxide
CAS No: 174969-02-9 Catalog No: AG00202J MDL No:
Product Description
Catalog Number:
AG00202J
Chemical Name:
6,7-Dioxa-3-thiabicyclo[3.2.2]nonane, 1,5-diphenyl-, 3,3-dioxide
CAS Number:
174969-02-9
Molecular Formula:
C18H18O4S
Molecular Weight:
330.3981
IUPAC Name:
1,5-diphenyl-6,7-dioxa-3λ6-thiabicyclo[3.2.2]nonane 3,3-dioxide
InChI:
InChI=1S/C18H18O4S/c19-23(20)13-17(15-7-3-1-4-8-15)11-12-18(14-23,22-21-17)16-9-5-2-6-10-16/h1-10H,11-14H2
InChI Key:
IGVSZUXDYWUIMS-UHFFFAOYSA-N
SMILES:
O=S1(=O)CC2(CCC(C1)(OO2)c1ccccc1)c1ccccc1
Properties
Complexity:
486
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
330.093g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
330.398g/mol
Monoisotopic Mass:
330.093g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
61A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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