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Home > Other Heterocycles > 28640-77-9
28640-77-9 | Spiro[bicyclo[4.2.1]nonane-2,2'-[1,3]dithiane] (9CI)
CAS No: 28640-77-9 Catalog No: AG002VXZ MDL No:
Product Description
Catalog Number:
AG002VXZ
Chemical Name:
Spiro[bicyclo[4.2.1]nonane-2,2'-[1,3]dithiane] (9CI)
CAS Number:
28640-77-9
Molecular Formula:
C12H20S2
Molecular Weight:
228.4172
IUPAC Name:
spiro[1,3-dithiane-2,2'-bicyclo[4.2.1]nonane]
InChI:
InChI=1S/C12H20S2/c1-3-10-4-5-11(9-10)12(6-1)13-7-2-8-14-12/h10-11H,1-9H2
InChI Key:
MUUXZHNKUSRRQB-UHFFFAOYSA-N
SMILES:
C1CSC2(SC1)CCCC1CC2CC1
Properties
Complexity:
208
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
228.101g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
228.412g/mol
Monoisotopic Mass:
228.101g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
50.6A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
4.2
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